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

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

CC1=C(C(=CC=C1)C)NC(=O)CCCCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCCSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

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