2-phenyl-1-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 2-phenyl-1-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 2-phenyl-1-[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 2-phenyl-1-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 2-phenyl-1-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C33H32N2O2S2 MolecularWeight: 552.74938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)C(C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O2S2/c36-32(30(26-14-5-1-6-15-26)38-28-18-9-3-10-19-28)34-22-13-23-35(25-24-34)33(37)31(27-16-7-2-8-17-27)39-29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2