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

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-(4-nitrophenyl)acetamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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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)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H34N2O4S/c1-24(2,3)20-14-17(15-21(23(20)29)25(4,5)6)8-7-13-32-16-22(28)26-18-9-11-19(12-10-18)27(30)31/h9-12,14-15,29H,7-8,13,16H2,1-6H3,(H,26,28)