Chem
J-GLOBAL ID：200907008164055648   Nikkaji number：J1.373.593J

1,3-Bis[2,4,6-triethyl-3-(tert-butoxycarbonylaminomethyl)benzyl]thiourea

1,3-ビス[2,4,6-トリエチル-3-(tert-ブトキシカルボニルアミノメチル)ベンジル]チオ尿素
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： C39H62N4O4S
Molecular formula furigana： C39-H62-N4-O4-S
Molecular weight： 683.010
InChI： InChI=1S/C39H62N4O4S/c1-13-25-19-27(15-3)33(23-42-36(44)46-38(7,8)9)29(17-5)31(25)21-40-35(48)41-22-32-26(14-2)20-28(16-4)34(30(32)18-6)24-43-37(45)47-39(10,11)12/h19-20H,13-18,21-24H2,1-12H3,(H,42,44)(H,43,45)(H2,40,41,48)
InChI key： RSTUGEPQJAUSJY-UHFFFAOYSA-N
SMILES： CCc1cc(CC)c(CNC(=S)NCc2c(CC)cc(CC)c(CNC(=O)OC(C)(C)C)c2CC)c(CC)c1CNC(=O)OC(C)(C)C
Systematic name  (3)：
  • 1,3-ビス[2,4,6-トリエチル-3-(tert-ブトキシカルボニルアミノメチル)ベンジル]チオ尿素
  • tert-ブチル N-[(3-{[({[3-({[(tert-ブトキシ)カルボニル]アミノ}メチル)-2,4,6-トリエチルフェニル]メチル}カルバモチオイル)アミノ]メチル}-2,4,6-トリエチルフェニル)メチル]カルバマート
  • tert-butyl N-[(3-{[({[3-({[(tert-butoxy)carbonyl]amino}methyl)-2,4,6-triethylphenyl]methyl}carbamothioyl)amino]methyl}-2,4,6-triethylphenyl)methyl]carbamate
Other name (1)：
  • 1,3-Bis[2,4,6-triethyl-3-(tert-butoxycarbonylaminomethyl)benzyl]thiourea
Thsaurus map：
Thesaurus Map

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