N-[5-({4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[5-isopropyl-2-{[(4-methylphenyl)sulfonyl]imino}-1,3,4-thiadiazol-3(2H)-yl]-4,4-dimethyl-3-oxopentanamide
[CAS# 66210-62-6]

Identification

• Name: N-[5-({4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[5-isopropyl-2-{[(4-methylphenyl)sulfonyl]imino}-1,3,4-thiadiazol-3(2H)-yl]-4,4-dimethyl-3-oxopentanamide
• Synonyms: N-[2-chloro-5-[[4-(2,4-di-tert-pentylphenoxy)-1-oxobutyl]amino]phenyl]-α-(2,2-dimethyl-1-oxopropyl)-5-isopropyl-2-[(p-tolylsulphonyl)imino]-1,3,4-thiadiazol-3(2H)-acetamide
• Molecular Formula: C₄₅H₆₀ClN₅O₆S₂
• Molecular Weight: 866.57
• CAS Registry Number: 66210-62-6
• EINECS: 266-240-5
• SMILES: O=S(=O)(N=C3S\C(=N/N3C(C(=O)C(C)(C)C)C(=O)Nc2cc(NC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(C)C)c4ccc(C)cc4
• InChI: 1S/C45H60ClN5O6S2/c1-13-44(9,10)30-19-24-36(33(26-30)45(11,12)14-2)57-25-15-16-37(52)47-31-20-23-34(46)35(27-31)48-40(54)38(39(53)43(6,7)8)51-42(58-41(49-51)28(3)4)50-59(55,56)32-21-17-29(5)18-22-32/h17-24,26-28,38H,13-16,25H2,1-12H3,(H,47,52)(H,48,54)
• InChIKey: MBGFJAVSRUZAQK-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)