4-[4-methyl-1-(4-methylphenyl)sulfanyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one

Systemtic Name: 4-[4-methyl-1-(4-methylphenyl)sulfanyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[3-methyl-1-(p-tolylsulfanylmethyl)butyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[4-methyl-1-[(4-methylphenyl)thio]pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[4-methyl-1-(4-methylphenyl)sulfanylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[3-methyl-1-[(p-tolylthio)methyl]butyl]-1-phenethyl-1,4-diazepan-5-one Formula: C26H36N2OS MolecularWeight: 424.64184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CC(C)C)N2CCN(CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CC(C)C)N2CCN(CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2OS/c1-21(2)19-24(20-30-25-11-9-22(3)10-12-25)28-18-17-27(16-14-26(28)29)15-13-23-7-5-4-6-8-23/h4-12,21,24H,13-20H2,1-3H3