2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-(2,6-dimethylphenyl)pentanamide

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-(2,6-dimethylphenyl)pentanamide Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-(2,6-dimethylphenyl)pentanamide CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-(2,6-dimethylphenyl)pentanamide IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-(2,6-dimethylphenyl)pentanamide Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-(2,6-dimethylphenyl)valeramide Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H39NO2S/c1-10-12-22(25(30)28-23-17(2)13-11-14-18(23)3)31-19-15-20(26(4,5)6)24(29)21(16-19)27(7,8)9/h11,13-16,22,29H,10,12H2,1-9H3,(H,28,30)