2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 2-phenyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c33-28(26(22-11-4-1-5-12-22)35-24-15-8-3-9-16-24)32-18-10-17-31(19-20-32)21-25-29-27(34-30-25)23-13-6-2-7-14-23/h1-9,11-16,26H,10,17-21H2