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

Systemtic Name: 3,5-bis(iodanyl)-2-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-diiodo-2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-(m-anisoylthiocarbamoylamino)benzoic acid Formula: C16H12I2N2O4S MolecularWeight: 582.15142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C16H12I2N2O4S/c1-24-10-4-2-3-8(5-10)14(21)20-16(25)19-13-11(15(22)23)6-9(17)7-12(13)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)