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

Systemtic Name: 5-chloranyl-2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12Cl2N2O3S2 MolecularWeight: 415.31408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O3S2/c17-9-1-4-11(5-2-9)25-8-14(21)20-16(24)19-13-6-3-10(18)7-12(13)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,24)