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

Systemtic Name: dimethyl 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17ClN2O5S2 MolecularWeight: 452.93168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H17ClN2O5S2/c1-26-17(24)11-7-12(18(25)27-2)9-14(8-11)21-19(28)22-16(23)10-29-15-5-3-13(20)4-6-15/h3-9H,10H2,1-2H3,(H2,21,22,23,28)