3-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O4S MolecularWeight: 364.80342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O4S/c17-12-6-1-2-7-13(12)23-9-14(20)19-16(24)18-11-5-3-4-10(8-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)