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2-[2-[dimethylamino-(2-methylphenyl)methyl]pyrrol-1-yl]benzenecarbothioamide
2-[2-[dimethylamino-(2-methylphenyl)methyl]pyrrol-1-yl]benzenecarbothioamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N(C)C
Isomeric SMILES
CC1=CC=CC=C1C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N(C)C
InChI
InChI=1S/C21H23N3S/c1-15-9-4-5-10-16(15)20(23(2)3)19-13-8-14-24(19)18-12-7-6-11-17(18)21(22)25/h4-14,20H,1-3H3,(H2,22,25)
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- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
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- (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoic acid
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid
- (4S)-4-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-5-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
- 2-[2-[2-[2,3-bis(fluoranyl)phenyl]ethyl]-4-oxidanylidene-1,8-naphthyridin-1-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide
- 2-[[4-(dodecylcarbamoyl)phenyl]methyl-[[1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]methyl]amino]-2-oxidanylidene-ethanoic acid
- (2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-10-(2-azanylethyl)-7-(2-azanyl-2-oxidanylidene-ethyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
- (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
- (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
- 3-[[2-[[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]phenyl]amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid; methanesulfonic acid
- (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid
