2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxidanylidene-ethanethial

Systemtic Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxidanylidene-ethanethial Openeye Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-1,4-dihydroisoquinolin-1-yl]-2-oxo-ethanethial CAS Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxoethanethial IUPAC Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1,4-dihydroisoquinolin-1-yl]-2-oxoethanethial Traditional Name: 2-[2-cyclohexyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-1,4-dihydroisoquinolin-1-yl]-2-keto-thioacetaldehyde Formula: C31H39NO2S2 MolecularWeight: 521.77686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=CC=CC=C3C(N(C2=S)C4CCCCC4)C(=O)C=S

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=CC=CC=C3C(N(C2=S)C4CCCCC4)C(=O)C=S

InChI

InChI=1S/C31H39NO2S2/c1-30(2,3)23-16-19(17-24(28(23)34)31(4,5)6)26-21-14-10-11-15-22(21)27(25(33)18-35)32(29(26)36)20-12-8-7-9-13-20/h10-11,14-18,20,26-27,34H,7-9,12-13H2,1-6H3