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

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C31H43NO2S2 MolecularWeight: 525.80862

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)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCCCC2SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C31H43NO2S2/c1-30(2,3)24-17-23(18-25(29(24)34)31(4,5)6)36-27-14-10-9-13-26(27)35-20-28(33)32-16-15-21-11-7-8-12-22(21)19-32/h7-8,11-12,17-18,26-27,34H,9-10,13-16,19-20H2,1-6H3