dimethyl 5-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-26-16-6-4-12(5-7-16)8-17(23)22-20(29)21-15-10-13(18(24)27-2)9-14(11-15)19(25)28-3/h4-7,9-11H,8H2,1-3H3,(H2,21,22,23,29)