5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-hydroxy-benzoic acid Formula: C16H13ClN2O4S2 MolecularWeight: 396.86842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=CC(=C(C=C2)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=CC(=C(C=C2)O)C(=O)O)Cl

InChI

InChI=1S/C16H13ClN2O4S2/c17-9-1-4-11(5-2-9)25-8-14(21)19-16(24)18-10-3-6-13(20)12(7-10)15(22)23/h1-7,20H,8H2,(H,22,23)(H2,18,19,21,24)