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

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-[4-(4-pyridylmethyl)phenyl]acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-[4-(4-pyridylmethyl)phenyl]acetamide Formula: C31H40N2O2S MolecularWeight: 504.7265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C31H40N2O2S/c1-30(2,3)26-19-24(20-27(29(26)35)31(4,5)6)8-7-17-36-21-28(34)33-25-11-9-22(10-12-25)18-23-13-15-32-16-14-23/h9-16,19-20,35H,7-8,17-18,21H2,1-6H3,(H,33,34)