5-BROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS号
530155-16-9
CCD编号
CCD00396236
分子式
C18 H17 Br N2 O4 S
分子量
437.312

基本信息

产品名称: 5-BROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 530155-16-9
英文同义词: BENZOIC ACID, 5-BROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL号: MFCD03565322
氢键受体数量: 6
氢键供体数量: 3
Smile: Cc1ccc(cc1C)OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
InChi: InChI=1S/C18H17BrN2O4S/c1-10-3-5-13(7-11(10)2)25-9-16(22)21-18(26)20-15-6-4-12(19)8-14(15)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
InChiKey: InChIKey=ZAYPQQQWUIVRPJ-UHFFFAOYSA-N

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