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

Systemtic Name: 2-(butanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(butanoylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(butanoylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(butyrylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C12H12I2N2O3S MolecularWeight: 518.10922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12I2N2O3S/c1-2-3-9(17)15-12(20)16-10-7(11(18)19)4-6(13)5-8(10)14/h4-5H,2-3H2,1H3,(H,18,19)(H2,15,16,17,20)