methyl 4,5-dimethoxy-2-[(3-nitrophenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(3-nitrophenyl)carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(3-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(3-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[(3-nitrophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

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