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

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O3S2/c17-10-5-7-11(8-6-10)24-9-14(20)19-16(23)18-13-4-2-1-3-12(13)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,23)