3,5-bis(iodanyl)-2-(2-phenoxyethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-2-(2-phenoxyethanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-diiodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid Formula: C16H12I2N2O4S MolecularWeight: 582.15142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12I2N2O4S/c17-9-6-11(15(22)23)14(12(18)7-9)20-16(25)19-13(21)8-24-10-4-2-1-3-5-10/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)