3-[[(2S)-butan-2-yl]carbamothioyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CCC[NH+](C)C)CC1=CC2=CC(=C(C=C2NC1=O)C)C

Isomeric SMILES

CC[C@H](C)NC(=S)N(CCC[NH+](C)C)CC1=CC2=CC(=C(C=C2NC1=O)C)C

InChI

InChI=1S/C22H34N4OS/c1-7-17(4)23-22(28)26(10-8-9-25(5)6)14-19-13-18-11-15(2)16(3)12-20(18)24-21(19)27/h11-13,17H,7-10,14H2,1-6H3,(H,23,28)(H,24,27)/p+1/t17-/m0/s1