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

Systemtic Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-(2,2-dimethylpropanoylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 3,5-diiodo-2-(pivaloylthiocarbamoylamino)benzoic acid Formula: C13H14I2N2O3S MolecularWeight: 532.1358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)I)I

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)I)I

InChI

InChI=1S/C13H14I2N2O3S/c1-13(2,3)11(20)17-12(21)16-9-7(10(18)19)4-6(14)5-8(9)15/h4-5H,1-3H3,(H,18,19)(H2,16,17,20,21)