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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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