Chem
J-GLOBAL ID:201207011427829836   Nikkaji number:J3.102.779I

(S)-N-[(S)-(5-Ethenylquinuclidine-2α-yl)(6-methoxy-4-quinolinyl)methyl]-3,3-dimethyl-2-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]butanamide

(S)-N-[(S)-(5-エテニルキヌクリジン-2α-イル)(6-メトキシ-4-キノリニル)メチル]-3,3-ジメチル-2-[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]ブタンアミド
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: C35H39F6N5O2S
Molecular formula furigana: C35-H39-F6-N5-O2-S
Molecular weight: 707.780
InChI: InChI=1S/C35H39F6N5O2S/c1-6-19-18-46-12-10-20(19)13-28(46)29(25-9-11-42-27-8-7-24(48-5)17-26(25)27)44-31(47)30(33(2,3)4)45-32(49)43-23-15-21(34(36,37)38)14-22(16-23)35(39,40)41/h6-9,11,14-17,19-20,28-30H,1,10,12-13,18H2,2-5H3,(H,44,47)(H2,43,45,49)/t19?,20?,28-,29-,30+/m0/s1
InChI key: FOTOPDIZEWZLSC-YBFQJOJUSA-N
SMILES: COc1ccc2nccc([C@H](NC(=O)[C@@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(C)(C)C)[C@@H]3CC4CCN3CC4C=C)c2c1
Systematic name  (4):
  • (S)-N-[(S)-(5-エテニルキヌクリジン-2α-イル)(6-メトキシ-4-キノリニル)メチル]-3,3-ジメチル-2-[3-[3,5-ビス(トリフルオロメチル)フェニル]チオウレイド]ブタンアミド
  • (S)-N-[(S)-(6-メトキシキノリン-4-イル)[(2S)-5-ビニル-1-アザビシクロ[2.2.2]オクタン-2-イル]メチル]-2-[[[3,5-ビス(トリフルオロメチル)フェニル]アミノ](チオカルボニル)アミノ]-3,3-ジメチルブタンアミド
  • (2S)-2-({[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)-N-[(S)-[(2S)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル]-3,3-ジメチルブタンアミド
  • (2S)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-[(S)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]-3,3-dimethylbutanamide
Other name (2):
  • (S)-N-[(S)-(5-Ethenylquinuclidine-2α-yl)(6-methoxy-4-quinolinyl)methyl]-3,3-dimethyl-2-[3-[3,5-bis(trifluoromethyl)phenyl]thioureido]butanamide
  • (S)-N-[(S)-(6-Methoxyquinoline-4-yl)[(2S)-5-vinyl-1-azabicyclo[2.2.2]octane-2-yl]methyl]-2-[[[3,5-bis(trifluoromethyl)phenyl]amino](thiocarbonyl)amino]-3,3-dimethylbutanamide
Thsaurus map:

Return to Previous Page