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

Systemtic Name: 2-(2,2-diphenylethanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(2,2-diphenylacetyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-2-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(2,2-diphenylacetyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(2,2-diphenylacetyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C22H16I2N2O3S MolecularWeight: 642.24798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I

InChI

InChI=1S/C22H16I2N2O3S/c23-15-11-16(21(28)29)19(17(24)12-15)25-22(30)26-20(27)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,18H,(H,28,29)(H2,25,26,27,30)