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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]acetamide Formula: C25H33BrN2O4S MolecularWeight: 537.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O4S/c1-24(2,3)18-12-16(13-19(23(18)30)25(4,5)6)8-7-11-33-15-22(29)27-21-10-9-17(28(31)32)14-20(21)26/h9-10,12-14,30H,7-8,11,15H2,1-6H3,(H,27,29)