Chem
J-GLOBAL ID：201707013977402902   Nikkaji number：J3.624.408I

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)propanamide

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]プロパンアミド
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： C30H28F6N4OS
Molecular formula furigana： C30-H28-F6-N4-O-S
Molecular weight： 606.630
InChI： InChI=1S/C30H28F6N4OS/c1-15(37-28(42)38-18-13-16(29(31,32)33)12-17(14-18)30(34,35)36)27(41)39-25-23-19-8-4-6-10-21(19)24(26(25)40(2)3)22-11-7-5-9-20(22)23/h4-15,23-26H,1-3H3,(H,39,41)(H2,37,38,42)
InChI key： MFZMRGDTIAHRSA-UHFFFAOYSA-N
SMILES： CC(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)プロパンアミド
  • 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]プロパンアミド
  • 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]propanamide
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)propanamide
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