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

Systemtic Name: 3,4,5-trimethoxy-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c1-25-13-8-10(9-14(26-2)15(13)27-3)16(22)18-17(28)20-19-11-4-6-12(7-5-11)21(23)24/h4-9,19H,1-3H3,(H2,18,20,22,28)