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

Systemtic Name: 1-(4-aminophenyl)-4-methyl-7-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-aminophenyl)-4-methyl-7-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-aminophenyl)-4-methyl-7-(methylthio)-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-aminophenyl)-4-methyl-7-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-aminophenyl)-4-methyl-7-(methylthio)-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-4-11-23-21(26)25-14(2)12-16-13-18(27-3)9-10-19(16)20(24-25)15-5-7-17(22)8-6-15/h5-10,13-14H,4,11-12,22H2,1-3H3,(H,23,26)