2-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C16H12ClIN2O3S MolecularWeight: 474.70055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

InChI

InChI=1S/C16H12ClIN2O3S/c17-10-3-1-9(2-4-10)7-14(21)20-16(24)19-13-6-5-11(18)8-12(13)15(22)23/h1-6,8H,7H2,(H,22,23)(H2,19,20,21,24)