N-[(5-iodanylpyridin-2-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]hexanamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]hexanamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]hexanamide Formula: C12H16IN3OS MolecularWeight: 377.24441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16IN3OS/c1-2-3-4-5-11(17)16-12(18)15-10-7-6-9(13)8-14-10/h6-8H,2-5H2,1H3,(H2,14,15,16,17,18)