1-(azepan-1-yl)-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-benzylsulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-(phenylmethylthio)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-benzylsulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-(benzylthio)propan-1-one Formula: C16H23NOS MolecularWeight: 277.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H23NOS/c1-14(19-13-15-9-5-4-6-10-15)16(18)17-11-7-2-3-8-12-17/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3