Chem
J-GLOBAL ID：201207063670657202   Nikkaji number：J3.039.178K

(3S)-3α,3′α-Bis[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-4,4′-biindan

(3S)-3α,3′α-ビス[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]-4,4′-ビインダン
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： C36H26F12N4S2
Molecular formula furigana： C36-H26-F12-N4-S2
Molecular weight： 806.730
InChI： InChI=1S/C36H26F12N4S2/c37-33(38,39)19-11-20(34(40,41)42)14-23(13-19)49-31(53)51-27-9-7-17-3-1-5-25(29(17)27)26-6-2-4-18-8-10-28(30(18)26)52-32(54)50-24-15-21(35(43,44)45)12-22(16-24)36(46,47)48/h1-6,11-16,27-28H,7-10H2,(H2,49,51,53)(H2,50,52,54)/t27-,28-/m0/s1
InChI key： YVOSDAQREUNOKA-NSOVKSMOSA-N
SMILES： FC(F)(F)c1cc(NC(=S)N[C@H]2CCc3cccc(c23)c2cccc3CC[C@H](NC(=S)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c23)cc(c1)C(F)(F)F
Systematic name  (4)：
  • 1,1′-(4,4′-ビインダン-3α,3′α-ジイル)ビス[3-[3,5-ビス(トリフルオロメチル)フェニル]チオ尿素]
  • (3S)-3α,3′α-ビス[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]-4,4′-ビインダン
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[(3S,3'S)-3'-({[3,5-ビス(トリフルオロメチル)フェニル]カルバモチオイル}アミノ)-1H,1'H,2H,2'H,3H,3'H-[4,4'-ビインデン]-3-イル]チオ尿素
  • 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3S,3'S)-3'-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-1H,1'H,2H,2'H,3H,3'H-[4,4'-biinden]-3-yl]thiourea
Other name (2)：
  • 1,1′-(4,4′-Biindan-3α,3′α-diyl)bis[3-[3,5-bis(trifluoromethyl)phenyl]thiourea]
  • (3S)-3α,3′α-Bis[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-4,4′-biindan
Thsaurus map：
Thesaurus Map

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