4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS号
532389-58-5
CCD编号
CCD00396722
分子式
C20 H22 N2 O4 S
分子量
386.47

基本信息

产品名称: 4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532389-58-5
英文同义词: BENZOIC ACID, 4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL号: MFCD03569603
氢键受体数量: 6
氢键供体数量: 3
Smile: Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2ccc(cc2)C(=O)O)C(C)C
InChi: InChI=1S/C20H22N2O4S/c1-12(2)16-9-4-13(3)10-17(16)26-11-18(23)22-20(27)21-15-7-5-14(6-8-15)19(24)25/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
InChiKey: InChIKey=PLXOUVIDZPEUFD-UHFFFAOYSA-N

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