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

Systemtic Name: dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C19H19ClN2O4S2/c1-25-17(23)12-9-13(18(24)26-2)11-15(10-12)22-19(27)21-7-8-28-16-5-3-14(20)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H2,21,22,27)