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

Systemtic Name: 4-[2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 1-phenethyl-4-[1-phenyl-2-(p-tolylsulfanyl)ethyl]-1,4-diazepan-5-one CAS Name: 4-[2-[(4-methylphenyl)thio]-1-phenylethyl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 1-phenethyl-4-[1-phenyl-2-(p-tolylthio)ethyl]-1,4-diazepan-5-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2OS/c1-23-12-14-26(15-13-23)32-22-27(25-10-6-3-7-11-25)30-21-20-29(19-17-28(30)31)18-16-24-8-4-2-5-9-24/h2-15,27H,16-22H2,1H3