N-(benzamidocarbamothioyl)octanamide

Systemtic Name: N-(benzamidocarbamothioyl)octanamide Openeye Name: N-(benzamidocarbamothioyl)octanamide CAS Name: N-[(benzoylhydrazo)-sulfanylidenemethyl]octanamide IUPAC Name: N-(benzamidocarbamothioyl)octanamide Traditional Name: N-(benzamidothiocarbamoyl)caprylamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-2-3-4-5-9-12-14(20)17-16(22)19-18-15(21)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,18,21)(H2,17,19,20,22)