Chem
J-GLOBAL ID：200907018991842779   Nikkaji number：J1.962.995C

1-[2α-[Methyl(isopropyl)amino]cyclohexane-1β-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

1-[2α-[メチル(イソプロピル)アミノ]シクロヘキサン-1β-イル]-3-[3,5-ビス(トリフルオロメチル)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： C19H25F6N3S
Molecular formula furigana： C19-H25-F6-N3-S
Molecular weight： 441.480
InChI： InChI=1S/C19H25F6N3S/c1-11(2)28(3)16-7-5-4-6-15(16)27-17(29)26-14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h8-11,15-16H,4-7H2,1-3H3,(H2,26,27,29)/t15-,16-/m1/s1
InChI key： XOJDRTMYWJCZJX-HZPDHXFCSA-N
SMILES： CC(C)N(C)[C@@H]1CCCC[C@H]1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name  (4)：
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(1R)-2α-(メチルイソプロピルアミノ)シクロヘキサン-1β-イル]チオ尿素
  • 1-[2α-[メチル(イソプロピル)アミノ]シクロヘキサン-1β-イル]-3-[3,5-ビス(トリフルオロメチル)フェニル]チオ尿素
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(1R,2R)-2-[メチル(プロパン-2-イル)アミノ]シクロヘキシル]チオ尿素
  • 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]thiourea
Other name (2)：
  • 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R)-2α-(methylisopropylamino)cyclohexane-1β-yl]thiourea
  • 1-[2α-[Methyl(isopropyl)amino]cyclohexane-1β-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
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