(3S)-3-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

Systemtic Name: (3S)-3-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Openeye Name: (3S)-3-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide CAS Name: (3S)-3-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide IUPAC Name: (3S)-3-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Traditional Name: (3S)-3-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2NC1=S)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(C2=CC=CC=C2NC1=S)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-12-11-20(17(21)18-13-7-3-2-4-8-13)15-10-6-5-9-14(15)19-16(12)22/h2-10,12H,11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1