1-[2,6-dimethyl-4-(oxan-4-ylmethyl)piperazin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone

Systemtic Name: 1-[2,6-dimethyl-4-(oxan-4-ylmethyl)piperazin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[2,6-dimethyl-4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]ethanone CAS Name: 1-[2,6-dimethyl-4-(4-oxanylmethyl)-1-piperazinyl]-2-[(diphenylmethyl)thio]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[2,6-dimethyl-4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[2,6-dimethyl-4-(tetrahydropyran-4-ylmethyl)piperazino]ethanone Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4CCOCC4

Isomeric SMILES

CC1CN(CC(N1C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4CCOCC4

InChI

InChI=1S/C27H36N2O2S/c1-21-17-28(19-23-13-15-31-16-14-23)18-22(2)29(21)26(30)20-32-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,21-23,27H,13-20H2,1-2H3