1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-phenyl-2-(phenylthio)ethanone Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O2S/c29-25(27-17-9-1-2-10-18-27)22-15-19-28(20-16-22)26(30)24(21-11-5-3-6-12-21)31-23-13-7-4-8-14-23/h3-8,11-14,22,24H,1-2,9-10,15-20H2