4-azanyl-N-(phenylmethyl)-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxamide

Systemtic Name: 4-azanyl-N-(phenylmethyl)-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxamide Openeye Name: 4-amino-N-benzyl-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxamide CAS Name: 4-amino-N-(phenylmethyl)-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxamide IUPAC Name: 4-amino-N-benzyl-2-sulfanylidene-1,5-dihydro-1,5-benzodiazepine-3-carboxamide Traditional Name: 4-amino-N-benzyl-2-thioxo-1,5-dihydro-1,5-benzodiazepine-3-carboxamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(NC3=CC=CC=C3NC2=S)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(NC3=CC=CC=C3NC2=S)N

InChI

InChI=1S/C17H16N4OS/c18-15-14(16(22)19-10-11-6-2-1-3-7-11)17(23)21-13-9-5-4-8-12(13)20-15/h1-9,20H,10,18H2,(H,19,22)(H,21,23)