dimethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3,5-dimethoxyphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C19H20N2O6S/c1-24-13-8-12(9-14(10-13)25-2)20-19(28)21-16-7-11(17(22)26-3)5-6-15(16)18(23)27-4/h5-10H,1-4H3,(H2,20,21,28)