methyl 3-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-4-methyl-benzoate Openeye Name: methyl 3-[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]sulfanyl-4-methyl-benzoate CAS Name: 3-[[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5-thiazolyl]thio]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[4-(dimethylamino)benzoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-4-methylbenzoate Traditional Name: 3-[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]thio]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H21N3O3S2/c1-13-5-6-15(20(26)27-4)11-17(13)28-18-12-22-21(29-18)23-19(25)14-7-9-16(10-8-14)24(2)3/h5-12H,1-4H3,(H,22,23,25)