methyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H13ClN2O2S MolecularWeight: 320.79392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN2O2S/c1-20-14(19)10-2-6-12(7-3-10)17-15(21)18-13-8-4-11(16)5-9-13/h2-9H,1H3,(H2,17,18,21)