N-[3-(azepan-1-yl)propyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-benzylsulfanyl-propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(phenylmethylthio)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-benzylsulfanylpropanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(benzylthio)propionamide Formula: C19H30N2OS MolecularWeight: 334.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCCCCC1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCCCN1CCCCCC1)SCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2OS/c1-17(23-16-18-10-5-4-6-11-18)19(22)20-12-9-15-21-13-7-2-3-8-14-21/h4-6,10-11,17H,2-3,7-9,12-16H2,1H3,(H,20,22)