Chem
J-GLOBAL ID：200907064178752667   Nikkaji number：J2.076.459G

Chisitine 1

キシチン1
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： C19H27N3O3S
Molecular formula furigana： C19-H27-N3-O3-S
Molecular weight： 377.500
InChI： InChI=1S/C19H27N3O3S/c1-26-19(25)21-13-7-15-22(14-6-5-12-20-16-23)18(24)11-10-17-8-3-2-4-9-17/h2-4,8-11,16H,5-7,12-15H2,1H3,(H,20,23)(H,21,25)/b11-10+
InChI key： CGBLBCRVDKYKCU-ZHACJKMWSA-N
SMILES： CSC(=O)NCCCN(CCCCNC=O)C(=O)/C=C/c1ccccc1
Systematic name  (3)：
  • [3-[[4-(ホルミルアミノ)ブチル]シンナモイルアミノ]プロピル]チオカルバミド酸S-メチル
  • (2E)-N-(4-ホルムアミドブチル)-N-(3-{[(メチルスルファニル)カルボニル]アミノ}プロピル)-3-フェニルプロパ-2-エンアミド
  • (2E)-N-(4-formamidobutyl)-N-(3-{[(methylsulfanyl)carbonyl]amino}propyl)-3-phenylprop-2-enamide
Other name (3)：
  • [3-[[4-(Formylamino)butyl]cinnamoylamino]propyl]thiocarbamic acid S-methyl ester
  • キシチン1
  • Chisitine 1
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