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

Systemtic Name: 1-methyl-4-[2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1,4-diazepan-5-one Openeye Name: 1-methyl-4-[1-phenyl-2-(p-tolylsulfanyl)ethyl]-1,4-diazepan-5-one CAS Name: 1-methyl-4-[2-[(4-methylphenyl)thio]-1-phenylethyl]-1,4-diazepan-5-one IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1,4-diazepan-5-one Traditional Name: 1-methyl-4-[1-phenyl-2-(p-tolylthio)ethyl]-1,4-diazepan-5-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-17-8-10-19(11-9-17)25-16-20(18-6-4-3-5-7-18)23-15-14-22(2)13-12-21(23)24/h3-11,20H,12-16H2,1-2H3