1-(4-aminophenyl)-N,4-dimethyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

Systemtic Name: 1-(4-aminophenyl)-N,4-dimethyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-aminophenyl)-N,4-dimethyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-aminophenyl)-N,4-dimethyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-aminophenyl)-N,4-dimethyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-aminophenyl)-N,4-dimethyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2)SC)C(=NN1C(=O)NC)C3=CC=C(C=C3)N

Isomeric SMILES

CC1CC2=C(C=CC(=C2)SC)C(=NN1C(=O)NC)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H22N4OS/c1-12-10-14-11-16(25-3)8-9-17(14)18(22-23(12)19(24)21-2)13-4-6-15(20)7-5-13/h4-9,11-12H,10,20H2,1-3H3,(H,21,24)