2-[[4-[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(4-iodoanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-(4-iodoanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(4-iodoanilino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H19IN2O4S MolecularWeight: 546.37743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H19IN2O4S/c1-14(21(27)25-16-8-6-15(24)7-9-16)31-18-12-10-17(11-13-18)26-22(28)19-4-2-3-5-20(19)23(29)30/h2-14H,1H3,(H,25,27)(H,26,28)(H,29,30)