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

Systemtic Name: 4-[[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]methyl]benzoic acid Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN2O3S2/c18-13-5-7-14(8-6-13)25-10-15(21)20-17(24)19-9-11-1-3-12(4-2-11)16(22)23/h1-8H,9-10H2,(H,22,23)(H2,19,20,21,24)