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

Systemtic Name: 1-(4-aminophenyl)-7-azanyl-4-methyl-8-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 7-amino-1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 7-amino-1-(4-aminophenyl)-4-methyl-8-(methylthio)-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 7-amino-1-(4-aminophenyl)-4-methyl-8-methylsulfanyl-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 7-amino-1-(4-aminophenyl)-4-methyl-8-(methylthio)-N-propyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-4-9-24-21(27)26-13(2)10-15-11-18(23)19(28-3)12-17(15)20(25-26)14-5-7-16(22)8-6-14/h5-8,11-13H,4,9-10,22-23H2,1-3H3,(H,24,27)