2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-phenethyl-acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-phenethylacetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-phenethylacetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-phenethyl-acetamide Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C27H39NO2S/c1-26(2,3)22-17-21(18-23(25(22)30)27(4,5)6)13-10-16-31-19-24(29)28-15-14-20-11-8-7-9-12-20/h7-9,11-12,17-18,30H,10,13-16,19H2,1-6H3,(H,28,29)