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

Systemtic Name: dimethyl 5-[(4-chlorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-chlorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-chlorophenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-chlorobenzyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H17ClN2O4S/c1-24-16(22)12-7-13(17(23)25-2)9-15(8-12)21-18(26)20-10-11-3-5-14(19)6-4-11/h3-9H,10H2,1-2H3,(H2,20,21,26)