1-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-azaspiro[2.5]octan-6-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-phenylsulfanylethanone Traditional Name: 1-[2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(phenylthio)ethanone Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12CC2C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C27H33N3O2S/c31-25(21-33-23-9-5-2-6-10-23)29-13-11-27(12-14-29)19-24(27)26(32)30-17-15-28(16-18-30)20-22-7-3-1-4-8-22/h1-10,24H,11-21H2