Chem
J-GLOBAL ID：200907019254611010
Nikkaji number：J934.865D
2,2-Bis[4-[2-(benzylaminocarbonothioyloxy)-3-mercaptopropoxy]phenyl]propane
2,2-ビス[4-[2-(ベンジルアミノカルボノチオイルオキシ)-3-メルカプトプロポキシ]フェニル]プロパン
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
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
Molecular formula： C37H42N2O4S4
Molecular formula furigana： C37-H42-N2-O4-S4
Molecular weight： 706.990
InChI：
InChI=1S/C37H42N2O4S4/c1-37(2,29-13-17-31(18-14-29)40-23-33(25-44)42-35(46)38-21-27-9-5-3-6-10-27)30-15-19-32(20-16-30)41-24-34(26-45)43-36(47)39-22-28-11-7-4-8-12-28/h3-20,33-34,44-45H,21-26H2,1-2H3,(H,38,46)(H,39,47)
InChI key：
QQGDFBISPUFSIG-UHFFFAOYSA-N
SMILES：
CC(C)(c1ccc(OCC(CS)OC(=S)NCc2ccccc2)cc1)c1ccc(OCC(CS)OC(=S)NCc2ccccc2)cc1
Systematic name (4)：
- 3,3′-[イソプロピリデンビス(4,1-フェニレン)ビスオキシ]ビス[2-(ベンジルチオカルバモイルオキシ)-1-プロパンチオール]
- 2,2-ビス[4-[2-(ベンジルアミノカルボノチオイルオキシ)-3-メルカプトプロポキシ]フェニル]プロパン
- 2-[(ベンジルカルバモチオイル)オキシ]-3-{4-[2-(4-{2-[(ベンジルカルバモチオイル)オキシ]-3-スルファニルプロポキシ}フェニル)プロパン-2-イル]フェノキシ}プロパン-1-チオール
- 2-[(benzylcarbamothioyl)oxy]-3-{4-[2-(4-{2-[(benzylcarbamothioyl)oxy]-3-sulfanylpropoxy}phenyl)propan-2-yl]phenoxy}propane-1-thiol
- 3,3′-[Isopropylidenebis(4,1-phenylene)bisoxy]bis[2-(benzylthiocarbamoyloxy)-1-propanethiol]
- 2,2-Bis[4-[2-(benzylaminocarbonothioyloxy)-3-mercaptopropoxy]phenyl]propane
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