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

Systemtic Name: 2-(butanoylcarbamothioylamino)-5-iodanyl-benzoic acid Openeye Name: 2-(butanoylcarbamothioylamino)-5-iodo-benzoic acid CAS Name: 5-iodo-2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(butanoylcarbamothioylamino)-5-iodobenzoic acid Traditional Name: 2-(butyrylthiocarbamoylamino)-5-iodo-benzoic acid Formula: C12H13IN2O3S MolecularWeight: 392.21269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13IN2O3S/c1-2-3-10(16)15-12(19)14-9-5-4-7(13)6-8(9)11(17)18/h4-6H,2-3H2,1H3,(H,17,18)(H2,14,15,16,19)