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

Systemtic Name: 1-(4-aminophenyl)-7-azanyl-N-ethyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 7-amino-1-(4-aminophenyl)-N-ethyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 7-amino-1-(4-aminophenyl)-N-ethyl-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 7-amino-1-(4-aminophenyl)-N-ethyl-4-methyl-8-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 7-amino-1-(4-aminophenyl)-N-ethyl-4-methyl-8-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5OS/c1-4-23-20(26)25-12(2)9-14-10-17(22)18(27-3)11-16(14)19(24-25)13-5-7-15(21)8-6-13/h5-8,10-12H,4,9,21-22H2,1-3H3,(H,23,26)