Chem
J-GLOBAL ID:200907002104243072   Nikkaji number:J2.447.838F

2,8-Dimethyl-4,10-bis[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine

2,8-ジメチル-4,10-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]-5,6,11,12-テトラヒドロジベンゾ[b,f][1,5]ジアゾシン
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: C34H26F12N6S2
Molecular formula furigana: C34-H26-F12-N6-S2
Molecular weight: 810.720
InChI: InChI=1S/C34H26F12N6S2/c1-15-3-17-13-47-28-18(4-16(2)6-26(28)52-30(54)50-24-11-21(33(41,42)43)8-22(12-24)34(44,45)46)14-48-27(17)25(5-15)51-29(53)49-23-9-19(31(35,36)37)7-20(10-23)32(38,39)40/h3-12,47-48H,13-14H2,1-2H3,(H2,49,51,53)(H2,50,52,54)
InChI key: TYCOJIPCZWULDY-UHFFFAOYSA-N
SMILES: Cc1cc2CNc3c(CNc2c(NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1)cc(C)cc3NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name  (3):
  • 2,8-ジメチル-4,10-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]-5,6,11,12-テトラヒドロジベンゾ[b,f][1,5]ジアゾシン
  • 1-[3,5-ビス(トリフルオロメチル)フェニル]-3-[16-({[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)-6,14-ジメチル-2,10-ジアザトリシクロ[10.4.0.04,9]ヘキサデカ-1(12),4(9),5,7,13,15-ヘキサエン-8-イル]チオ尿素
  • 1-[3,5-bis(trifluoromethyl)phenyl]-3-[16-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-6,14-dimethyl-2,10-diazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-8-yl]thiourea
Other name (1):
  • 2,8-Dimethyl-4,10-bis[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine
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