1-(azepan-1-yl)-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(p-tolylsulfanyl)propan-1-one CAS Name: 1-(1-azepanyl)-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-(p-tolylthio)propan-1-one Formula: C16H23NOS MolecularWeight: 277.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C16H23NOS/c1-13-7-9-15(10-8-13)19-14(2)16(18)17-11-5-3-4-6-12-17/h7-10,14H,3-6,11-12H2,1-2H3