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

Systemtic Name: 4-[1-(4-methylphenyl)sulfanyl-3-phenyl-propan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(p-tolylsulfanyl)ethyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-methylphenyl)thio]-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-(p-tolylthio)ethyl]-1-phenethyl-1,4-diazepan-5-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2OS/c1-24-12-14-28(15-13-24)33-23-27(22-26-10-6-3-7-11-26)31-21-20-30(19-17-29(31)32)18-16-25-8-4-2-5-9-25/h2-15,27H,16-23H2,1H3