1-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone

Systemtic Name: 1-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[[4-(methylthio)phenyl]-phenylmethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-methylsulfanylphenyl)-phenylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[[4-(methylthio)phenyl]-phenyl-methyl]piperazino]ethanone Formula: C31H43N3O2S MolecularWeight: 521.75702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2C(C)(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C31H43N3O2S/c1-23(35)32-17-15-24(16-18-32)21-29(36)34-20-19-33(22-28(34)31(2,3)4)30(25-9-7-6-8-10-25)26-11-13-27(37-5)14-12-26/h6-14,24,28,30H,15-22H2,1-5H3