4-methyl-7-nitro-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

Systemtic Name: 4-methyl-7-nitro-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Openeye Name: 4-methyl-7-nitro-N-phenyl-2-thioxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide CAS Name: 4-methyl-7-nitro-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide IUPAC Name: 4-methyl-7-nitro-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Traditional Name: 4-methyl-7-nitro-N-phenyl-2-thioxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=S)NC2=C(N1C(=O)NC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=S)NC2=C(N1C(=O)NC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-11-9-16(25)19-14-8-7-13(21(23)24)10-15(14)20(11)17(22)18-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,22)(H,19,25)