N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]caprylamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O2S/c1-2-3-4-5-9-15-22(28)27-24(30)26-21-14-10-13-20(18-21)25-23(29)17-16-19-11-7-6-8-12-19/h6-8,10-14,18H,2-5,9,15-17H2,1H3,(H,25,29)(H2,26,27,28,30)