2,4-bis(chloranyl)-5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoate

Systemtic Name: 2,4-bis(chloranyl)-5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]benzoate Openeye Name: 2,4-dichloro-5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoate CAS Name: 2,4-dichloro-5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2,4-dichloro-5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]benzoate Traditional Name: 2,4-dichloro-5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]benzoate Formula: C16H10Cl3N2O3S2- MolecularWeight: 448.7512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl3N2O3S2/c17-8-1-3-9(4-2-8)26-7-14(22)21-16(25)20-13-5-10(15(23)24)11(18)6-12(13)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,25)/p-1