N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(2-iodobenzoyl)amino]thiocarbamoyl]caprylamide Formula: C16H22IN3O2S MolecularWeight: 447.33425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C16H22IN3O2S/c1-2-3-4-5-6-11-14(21)18-16(23)20-19-15(22)12-9-7-8-10-13(12)17/h7-10H,2-6,11H2,1H3,(H,19,22)(H2,18,20,21,23)