1-[2-(4-methylphenyl)sulfanylethyl]-5-phenyl-azepan-2-one

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-5-phenyl-azepan-2-one Openeye Name: 5-phenyl-1-[2-(p-tolylsulfanyl)ethyl]azepan-2-one CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-5-phenyl-2-azepanone IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-5-phenylazepan-2-one Traditional Name: 5-phenyl-1-[2-(p-tolylthio)ethyl]azepan-2-one Formula: C21H25NOS MolecularWeight: 339.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCC(CCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NOS/c1-17-7-10-20(11-8-17)24-16-15-22-14-13-19(9-12-21(22)23)18-5-3-2-4-6-18/h2-8,10-11,19H,9,12-16H2,1H3