1-benzo[b][1]benzazepin-11-yl-2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-ethanone

Systemtic Name: 1-benzo[b][1]benzazepin-11-yl-2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-ethanone Openeye Name: 1-benzo[b][1]benzazepin-11-yl-2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanyl-ethanone CAS Name: 1-(11-benzo[b][1]benzazepinyl)-2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]ethanone IUPAC Name: 1-benzo[b][1]benzazepin-11-yl-2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanylethanone Traditional Name: 1-benzo[b][1]benzazepin-11-yl-2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]ethanone Formula: C36H43NO2S2 MolecularWeight: 585.86212

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)N3C4=CC=CC=C4C=CC5=CC=CC=C53

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)N3C4=CC=CC=C4C=CC5=CC=CC=C53

InChI

InChI=1S/C36H43NO2S2/c1-35(2,3)27-21-26(22-28(34(27)39)36(4,5)6)41-32-18-12-11-17-31(32)40-23-33(38)37-29-15-9-7-13-24(29)19-20-25-14-8-10-16-30(25)37/h7-10,13-16,19-22,31-32,39H,11-12,17-18,23H2,1-6H3