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

Systemtic Name: 1-(4-aminophenyl)-N-ethyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-aminophenyl)-N-ethyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-aminophenyl)-N-ethyl-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-aminophenyl)-N-ethyl-4-methyl-7-methylsulfanyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-aminophenyl)-N-ethyl-4-methyl-7-(methylthio)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-4-22-20(25)24-13(2)11-15-12-17(26-3)9-10-18(15)19(23-24)14-5-7-16(21)8-6-14/h5-10,12-13H,4,11,21H2,1-3H3,(H,22,25)