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

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C33H42N2O6S MolecularWeight: 594.76138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C33H42N2O6S/c1-8-40-25-11-13-26(14-12-25)41-27-19-23(18-24(20-27)35(38)39)34-30(36)21-42-15-9-10-22-16-28(32(2,3)4)31(37)29(17-22)33(5,6)7/h11-14,16-20,37H,8-10,15,21H2,1-7H3,(H,34,36)