Chem
J-GLOBAL ID：201707018822381862   Nikkaji number：J3.624.410K

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)acetamide

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]アセトアミド
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： C29H26F6N4OS
Molecular formula furigana： C29-H26-F6-N4-O-S
Molecular weight： 592.600
InChI： InChI=1S/C29H26F6N4OS/c1-39(2)26-24-20-9-5-3-7-18(20)23(19-8-4-6-10-21(19)24)25(26)38-22(40)14-36-27(41)37-17-12-15(28(30,31)32)11-16(13-17)29(33,34)35/h3-13,23-26H,14H2,1-2H3,(H,38,40)(H2,36,37,41)
InChI key： IVNIARKHYQOLLN-UHFFFAOYSA-N
SMILES： CN(C)C1C(NC(=O)CNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2c3ccccc3C1c1ccccc21
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)アセトアミド
  • 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]アセトアミド
  • 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]acetamide
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)acetamide
Thsaurus map：
Thesaurus Map

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