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

Systemtic Name: N-[[3-(propanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-(propanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-(propanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[(3-propionamidophenyl)thiocarbamoyl]caprylamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-3-5-6-7-8-12-17(23)21-18(24)20-15-11-9-10-14(13-15)19-16(22)4-2/h9-11,13H,3-8,12H2,1-2H3,(H,19,22)(H2,20,21,23,24)