Chem
J-GLOBAL ID：201707016368512172   Nikkaji number：J3.624.409G

N-(16-Dimethylaminotetracyclo[6.6.2.02,7.09,14]hexadecane-2(7),3,5,9(14),10,12-hexaene-15-yl)-2-(3-(3,5-di(trifluoromethyl)phenyl)thioureido)butanamide

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-[16-(ジメチルアミノ)テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-15-イル]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： C31H30F6N4OS
Molecular formula furigana： C31-H30-F6-N4-O-S
Molecular weight： 620.660
InChI： InChI=1S/C31H30F6N4OS/c1-4-23(39-29(43)38-18-14-16(30(32,33)34)13-17(15-18)31(35,36)37)28(42)40-26-24-19-9-5-7-11-21(19)25(27(26)41(2)3)22-12-8-6-10-20(22)24/h5-15,23-27H,4H2,1-3H3,(H,40,42)(H2,38,39,43)
InChI key： XCESKCWOUXCHAU-UHFFFAOYSA-N
SMILES： CCC(NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)NC1C(C2c3ccccc3C1c1ccccc21)N(C)C
Systematic name  (3)：
  • N-(16-ジメチルアミノテトラシクロ[6.6.2.02,7.09,14]ヘキサデカン-2(7),3,5,9(14),10,12-ヘキサエン-15-イル)-2-(3-(3,5-ジ(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
  • 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-[16-(ジメチルアミノ)テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-15-イル]ブタンアミド
  • 2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-[16-(dimethylamino)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-yl]butanamide
Other name (1)：
  • N-(16-Dimethylaminotetracyclo[6.6.2.02,7.09,14]hexadecane-2(7),3,5,9(14),10,12-hexaene-15-yl)-2-(3-(3,5-di(trifluoromethyl)phenyl)thioureido)butanamide
Thsaurus map：
Thesaurus Map

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