Chem
J-GLOBAL ID：201207094769511970   Nikkaji number：J3.034.641F

N,N′-[[2-[3-(1-Adamantyl)thioureido]ethyl]iminobisethylene]bis(4-methoxybenzamide)

N,N′-[[2-[3-(1-アダマンチル)チオウレイド]エチル]イミノビスエチレン]ビス(4-メトキシベンズアミド)
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： C33H45N5O4S
Molecular formula furigana： C33-H45-N5-O4-S
Molecular weight： 607.810
InChI： InChI=1S/C33H45N5O4S/c1-41-28-7-3-26(4-8-28)30(39)34-11-14-38(15-12-35-31(40)27-5-9-29(42-2)10-6-27)16-13-36-32(43)37-33-20-23-17-24(21-33)19-25(18-23)22-33/h3-10,23-25H,11-22H2,1-2H3,(H,34,39)(H,35,40)(H2,36,37,43)/t23-,24?,25?,33-
InChI key： NDOQLGSOCNMWNA-WZOCOHJZSA-N
SMILES： COc1ccc(cc1)C(=O)NCCN(CCNC(=S)N[C@@]12CC3C[C@@H](CC(C3)C1)C2)CCNC(=O)c1ccc(OC)cc1
Systematic name  (4)：
  • N,N′-[2-[3-(1-アダマンチル)チオウレイド]エチルイミノ]ビス(2,1-エタンジイル)ビス(4-メトキシベンズアミド)
  • N,N′-[[2-[3-(1-アダマンチル)チオウレイド]エチル]イミノビスエチレン]ビス(4-メトキシベンズアミド)
  • 4-メトキシ-N-[2-({2-[(4-メトキシフェニル)ホルムアミド]エチル}[2-({[(3r)-アダマンタン-1-イル]カルバモチオイル}アミノ)エチル]アミノ)エチル]ベンズアミド
  • 4-methoxy-N-[2-({2-[(4-methoxyphenyl)formamido]ethyl}[2-({[(3r)-adamantan-1-yl]carbamothioyl}amino)ethyl]amino)ethyl]benzamide
Other name (2)：
  • N,N′-[2-[3-(1-Adamantyl)thioureido]ethylimino]bis(2,1-ethanediyl)bis(4-methoxybenzamide)
  • N,N′-[[2-[3-(1-Adamantyl)thioureido]ethyl]iminobisethylene]bis(4-methoxybenzamide)
Thsaurus map：
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