dimethyl 2-[(3-nitrophenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-nitrophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-nitrophenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-nitrophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-nitrophenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-25-15(21)10-6-7-13(16(22)26-2)14(8-10)19-17(27)18-11-4-3-5-12(9-11)20(23)24/h3-9H,1-2H3,(H2,18,19,27)