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

Systemtic Name: 4-[1-(4-methoxyphenyl)sulfanyl-3-phenyl-propan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(4-methoxyphenyl)sulfanyl-ethyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-methoxyphenyl)thio]-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-methoxyphenyl)sulfanyl-3-phenylpropan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-[(4-methoxyphenyl)thio]ethyl]-1-phenethyl-1,4-diazepan-5-one Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)SCC(CC2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2S/c1-33-27-12-14-28(15-13-27)34-23-26(22-25-10-6-3-7-11-25)31-21-20-30(19-17-29(31)32)18-16-24-8-4-2-5-9-24/h2-15,26H,16-23H2,1H3