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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]valeramide Formula: C19H27N3O2S MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-2-3-12-17(23)21-19(25)20-16-11-7-6-10-15(16)18(24)22-13-8-4-5-9-14-22/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H2,20,21,23,25)