1-(4-aminophenyl)-7-azanyl-N-butyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

Systemtic Name: 1-(4-aminophenyl)-7-azanyl-N-butyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 7-amino-1-(4-aminophenyl)-N-butyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 7-amino-1-(4-aminophenyl)-N-butyl-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 7-amino-1-(4-aminophenyl)-N-butyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 7-amino-1-(4-aminophenyl)-N-butyl-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)N)SC)N)C

Isomeric SMILES

CCCCNC(=O)N1C(CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)N)SC)N)C

InChI

InChI=1S/C22H29N5OS/c1-4-5-10-25-22(28)27-14(2)11-16-12-19(24)20(29-3)13-18(16)21(26-27)15-6-8-17(23)9-7-15/h6-9,12-14H,4-5,10-11,23-24H2,1-3H3,(H,25,28)