2-(hexanoylcarbamothioylamino)-5-iodanyl-benzoic acid

Systemtic Name: 2-(hexanoylcarbamothioylamino)-5-iodanyl-benzoic acid Openeye Name: 2-(hexanoylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 5-iodo-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(hexanoylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(caproylthiocarbamoylamino)-5-iodo-benzoic acid Formula: C14H17IN2O3S MolecularWeight: 420.26585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C14H17IN2O3S/c1-2-3-4-5-12(18)17-14(21)16-11-7-6-9(15)8-10(11)13(19)20/h6-8H,2-5H2,1H3,(H,19,20)(H2,16,17,18,21)