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

Systemtic Name: 1-(4-aminophenyl)-N-butyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-aminophenyl)-N-butyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-aminophenyl)-N-butyl-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-aminophenyl)-N-butyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-aminophenyl)-N-butyl-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(CC2=C(C=CC(=C2)SC)C(=N1)C3=CC=C(C=C3)N)C

Isomeric SMILES

CCCCNC(=O)N1C(CC2=C(C=CC(=C2)SC)C(=N1)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C22H28N4OS/c1-4-5-12-24-22(27)26-15(2)13-17-14-19(28-3)10-11-20(17)21(25-26)16-6-8-18(23)9-7-16/h6-11,14-15H,4-5,12-13,23H2,1-3H3,(H,24,27)