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

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]-1-(4-methylpiperazino)ethanone Formula: C27H44N2O2S2 MolecularWeight: 492.78046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O2S2/c1-26(2,3)20-16-19(17-21(25(20)31)27(4,5)6)33-23-11-9-8-10-22(23)32-18-24(30)29-14-12-28(7)13-15-29/h16-17,22-23,31H,8-15,18H2,1-7H3