4-[2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 4-[2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 1-isobutyl-4-[1-phenyl-2-(p-tolylsulfanyl)ethyl]-1,4-diazepan-5-one CAS Name: 4-[2-[(4-methylphenyl)thio]-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 1-isobutyl-4-[1-phenyl-2-(p-tolylthio)ethyl]-1,4-diazepan-5-one Formula: C24H32N2OS MolecularWeight: 396.58868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CC(C)C

InChI

InChI=1S/C24H32N2OS/c1-19(2)17-25-14-13-24(27)26(16-15-25)23(21-7-5-4-6-8-21)18-28-22-11-9-20(3)10-12-22/h4-12,19,23H,13-18H2,1-3H3