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

Systemtic Name: dimethyl 5-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H17ClN2O5S/c1-26-17(24)12-8-13(18(25)27-2)10-15(9-12)21-19(28)22-16(23)7-11-3-5-14(20)6-4-11/h3-6,8-10H,7H2,1-2H3,(H2,21,22,23,28)