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

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C25H27N3OS MolecularWeight: 417.56638

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3OS/c29-25(24(21-10-3-1-4-11-21)30-23-13-5-2-6-14-23)28-17-9-16-27(18-19-28)20-22-12-7-8-15-26-22/h1-8,10-15,24H,9,16-20H2