4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C16H13ClN2O3S/c17-12-5-1-10(2-6-12)9-14(20)19-16(23)18-13-7-3-11(4-8-13)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,23)