结构:Cc1ncoc1CSCCNC(=S)NC(=O)c1ccccc1
HCID20557859

N-benzoyl-N'-[2-((4-methyl-5-oxazolyl)methylthio)ethyl]thiourea

N-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethylcarbamothioyl]benzamide

C15H17N3O2S2335.4 g/mol

IDENTITY

结构与身份

标准 SMILES
Cc1ncoc1CSCCNC(=S)NC(=O)c1ccccc1
InChIKey
CDEAGXFJLSNMIL-UHFFFAOYSA-N
分子式
C15H17N3O2S2
平均分子量
335.4 g/mol
单同位素质量
335.07621914

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
125 Ų
氢键供体
2
氢键受体
5
可旋转键
6
重原子
22
形式电荷
0
复杂度
376

ALIASES

名称与别名

5
SCHEMBL11326745CDEAGXFJLSNMIL-UHFFFAOYSA-NN-benzoyl-N'-[2-((4-methyl-5-oxazolyl) methylthio)ethyl]thioureaN-benzoyl-N'-[2-((4-methyl-5-oxazolyl)-methylthio)ethyl]thioureaN-benzoyl-N'-[2-((4-methyl-5-oxazolyl)methylthio)ethyl]thiourea

REACTIONS

参与反应

11
HRID953848

Validation data from https://doi.org/10.1039/C8SC04228D

作为生成物
HRID 953848 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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