3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C17H17N3O6S MolecularWeight: 391.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-24-13-8-10(9-14(25-2)15(13)26-3)16(21)19-17(27)18-11-6-4-5-7-12(11)20(22)23/h4-9H,1-3H3,(H2,18,19,21,27)