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

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(4-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=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC4=CC=NC=C4

InChI

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