2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C16H11ClI2N2O3S2 MolecularWeight: 632.66208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

InChI

InChI=1S/C16H11ClI2N2O3S2/c17-8-1-3-10(4-2-8)26-7-13(22)20-16(25)21-14-11(15(23)24)5-9(18)6-12(14)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,25)