4-[1-(4-methylphenyl)sulfanyl-3-phenyl-propan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfanyl-3-phenyl-propan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(p-tolylsulfanyl)ethyl]-1-isobutyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-methylphenyl)thio]-3-phenylpropan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-(p-tolylthio)ethyl]-1-isobutyl-1,4-diazepan-5-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CC(C)C

InChI

InChI=1S/C25H34N2OS/c1-20(2)18-26-14-13-25(28)27(16-15-26)23(17-22-7-5-4-6-8-22)19-29-24-11-9-21(3)10-12-24/h4-12,20,23H,13-19H2,1-3H3