Chem
J-GLOBAL ID：201407066899569610   Nikkaji number：J3.283.268G

1,1′,1′′-(Nitrilotrisethylene)tris[3-[4-(trifluoromethyl)phenyl]thiourea]

1,1′,1′′-(ニトリロトリスエチレン)トリス[3-[4-(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： C30H30F9N7S3
Molecular formula furigana： C30-H30-F9-N7-S3
Molecular weight： 755.780
InChI： InChI=1S/C30H30F9N7S3/c31-28(32,33)19-1-7-22(8-2-19)43-25(47)40-13-16-46(17-14-41-26(48)44-23-9-3-20(4-10-23)29(34,35)36)18-15-42-27(49)45-24-11-5-21(6-12-24)30(37,38)39/h1-12H,13-18H2,(H2,40,43,47)(H2,41,44,48)(H2,42,45,49)
InChI key： RUHASYNDYSJVCH-UHFFFAOYSA-N
SMILES： FC(F)(F)c1ccc(NC(=S)NCCN(CCNC(=S)Nc2ccc(cc2)C(F)(F)F)CCNC(=S)Nc2ccc(cc2)C(F)(F)F)cc1
Systematic name  (4)：
  • 1,1′,1′′-(ニトリロトリスエチレン)トリス[3-[4-(トリフルオロメチル)フェニル]チオ尿素]
  • 3,3′,3′′-(ニトリロトリスエチレン)トリス(1-(4-(トリフルオロメチル)フェニル)チオ尿素)
  • 1-(2-{ビス[2-({[4-(トリフルオロメチル)フェニル]カルバモチオイル}アミノ)エチル]アミノ}エチル)-3-[4-(トリフルオロメチル)フェニル]チオ尿素
  • 1-(2-{bis[2-({[4-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]amino}ethyl)-3-[4-(trifluoromethyl)phenyl]thiourea
Other name (2)：
  • 1,1′,1′′-(Nitrilotrisethylene)tris[3-[4-(trifluoromethyl)phenyl]thiourea]
  • 3,3′,3′′-(Nitrilotrisethylene)tris(1-(4-(trifluoromethyl)phenyl)thiourea)
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