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

Systemtic Name: N-(5-bromanylpyrimidin-2-yl)-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethanamide Openeye Name: N-(5-bromopyrimidin-2-yl)-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]acetamide CAS Name: N-(5-bromo-2-pyrimidinyl)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]acetamide IUPAC Name: N-(5-bromopyrimidin-2-yl)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]acetamide Traditional Name: N-(5-bromopyrimidin-2-yl)-2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]acetamide Formula: C23H32BrN3O2S MolecularWeight: 494.48808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC=C(C=N2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC=C(C=N2)Br

InChI

InChI=1S/C23H32BrN3O2S/c1-22(2,3)17-10-15(11-18(20(17)29)23(4,5)6)8-7-9-30-14-19(28)27-21-25-12-16(24)13-26-21/h10-13,29H,7-9,14H2,1-6H3,(H,25,26,27,28)