1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H29N3OS/c1-21-10-8-13-23(27-21)20-28-16-9-17-29(19-18-28)26(30)25(22-11-4-2-5-12-22)31-24-14-6-3-7-15-24/h2-8,10-15,25H,9,16-20H2,1H3