N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]octanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]caprylamide Formula: C22H33N3O2S MolecularWeight: 403.58132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C22H33N3O2S/c1-2-3-4-5-8-15-20(26)24-22(28)23-19-14-10-9-13-18(19)21(27)25-16-11-6-7-12-17-25/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H2,23,24,26,28)