3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

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