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

Systemtic Name: 3,5-bis(iodanyl)-2-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-diiodo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 3,5-diiodo-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-diiodo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-diiodo-2-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C16H12I2N2O3S MolecularWeight: 566.15202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12I2N2O3S/c17-10-7-11(15(22)23)14(12(18)8-10)20-16(24)19-13(21)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,22,23)(H2,19,20,21,24)