Chem
J-GLOBAL ID：200907087419153379   Nikkaji number：J2.566.988F

1,1′-[1,1,1,3,3,3-Hexafluoropropane-2-ylidenebis[methylene(4-methyl-1,3-phenylene)]]bis(3-phenylthiourea)

1,1′-[1,1,1,3,3,3-ヘキサフルオロプロパン-2-イリデンビス[メチレン(4-メチル-1,3-フェニレン)]]ビス(3-フェニルチオ尿素)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C33H30F6N4S2
Molecular formula furigana： C33-H30-F6-N4-S2
Molecular weight： 660.740
InChI： InChI=1S/C33H30F6N4S2/c1-21-13-15-23(17-27(21)42-29(44)40-25-9-5-3-6-10-25)19-31(32(34,35)36,33(37,38)39)20-24-16-14-22(2)28(18-24)43-30(45)41-26-11-7-4-8-12-26/h3-18H,19-20H2,1-2H3,(H2,40,42,44)(H2,41,43,45)
InChI key： AKRQMLNMFGJQOX-UHFFFAOYSA-N
SMILES： Cc1ccc(CC(Cc2ccc(C)c(NC(=S)Nc3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1NC(=S)Nc1ccccc1
Systematic name  (3)：
  • 1,1′-[1,1,1,3,3,3-ヘキサフルオロプロパン-2-イリデンビス[メチレン(4-メチル-1,3-フェニレン)]]ビス(3-フェニルチオ尿素)
  • 3-{2-メチル-5-[3,3,3-トリフルオロ-2-({4-メチル-3-[(フェニルカルバモチオイル)アミノ]フェニル}メチル)-2-(トリフルオロメチル)プロピル]フェニル}-1-フェニルチオ尿素
  • 3-{2-methyl-5-[3,3,3-trifluoro-2-({4-methyl-3-[(phenylcarbamothioyl)amino]phenyl}methyl)-2-(trifluoromethyl)propyl]phenyl}-1-phenylthiourea
Other name (1)：
  • 1,1′-[1,1,1,3,3,3-Hexafluoropropane-2-ylidenebis[methylene(4-methyl-1,3-phenylene)]]bis(3-phenylthiourea)
Thsaurus map：
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