N-[(3-phenylpropanoylamino)carbamothioyl]octanamide

Systemtic Name: N-[(3-phenylpropanoylamino)carbamothioyl]octanamide Openeye Name: N-[(3-phenylpropanoylamino)carbamothioyl]octanamide CAS Name: N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-phenylpropanoylamino)carbamothioyl]octanamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]caprylamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H27N3O2S/c1-2-3-4-5-9-12-16(22)19-18(24)21-20-17(23)14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3,(H,20,23)(H2,19,21,22,24)