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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=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)18-11-4-6-12(7-5-11)20(22)23/h4-9H,1-3H3,(H2,18,19,21,27)