4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxy-benzoate CAS Name: 4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-hydroxybenzoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-hydroxy-benzoate Formula: C16H12ClN2O4S2- MolecularWeight: 395.86048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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