2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O4S2/c1-25(2,3)18-12-16(13-19(23(18)31)26(4,5)6)8-7-11-34-15-22(30)28-24-27-20-14-17(29(32)33)9-10-21(20)35-24/h9-10,12-14,31H,7-8,11,15H2,1-6H3,(H,27,28,30)