3,5-bis(iodanyl)-2-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-diiodo-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-(p-toluoylthiocarbamoylamino)benzoic acid Formula: C16H12I2N2O3S MolecularWeight: 566.15202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C16H12I2N2O3S/c1-8-2-4-9(5-3-8)14(21)20-16(24)19-13-11(15(22)23)6-10(17)7-12(13)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)