N-[(2-phenylethanoylamino)carbamothioyl]octanamide

Systemtic Name: N-[(2-phenylethanoylamino)carbamothioyl]octanamide Openeye Name: N-[[(2-phenylacetyl)amino]carbamothioyl]octanamide CAS Name: N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(2-phenylacetyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(2-phenylacetyl)amino]thiocarbamoyl]caprylamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O2S/c1-2-3-4-5-9-12-15(21)18-17(23)20-19-16(22)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,19,22)(H2,18,20,21,23)