dimethyl 5-[(4-methoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-methoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-methoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-methoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(p-anisoylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-25-15-6-4-11(5-7-15)16(22)21-19(28)20-14-9-12(17(23)26-2)8-13(10-14)18(24)27-3/h4-10H,1-3H3,(H2,20,21,22,28)