1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-(2-naphthylthio)ethanone Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H30N2O2S/c27-23(18-29-22-10-9-19-7-3-4-8-21(19)17-22)25-15-11-20(12-16-25)24(28)26-13-5-1-2-6-14-26/h3-4,7-10,17,20H,1-2,5-6,11-16,18H2