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

Systemtic Name: 2-(hexanoylcarbamothioylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(hexanoylcarbamothioylamino)-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(hexanoylcarbamothioylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(caproylthiocarbamoylamino)-3,5-diiodo-benzoic acid Formula: C14H16I2N2O3S MolecularWeight: 546.16238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16I2N2O3S/c1-2-3-4-5-11(19)17-14(22)18-12-9(13(20)21)6-8(15)7-10(12)16/h6-7H,2-5H2,1H3,(H,20,21)(H2,17,18,19,22)