dimethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7S/c1-26-15-9-11(21(24)25)5-7-13(15)19-18(29)20-14-8-10(16(22)27-2)4-6-12(14)17(23)28-3/h4-9H,1-3H3,(H2,19,20,29)