2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanyl-ethanone CAS Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]ethanone Formula: C33H48N2O2S2 MolecularWeight: 568.87642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C33H48N2O2S2/c1-32(2,3)26-20-25(21-27(31(26)37)33(4,5)6)39-29-15-11-10-14-28(29)38-23-30(36)35-18-16-34(17-19-35)22-24-12-8-7-9-13-24/h7-9,12-13,20-21,28-29,37H,10-11,14-19,22-23H2,1-6H3