3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID

CAS号
530147-78-5
CCD编号
CCD00396166
分子式
C21 H24 N2 O4 S
分子量
400.497

基本信息

产品名称: 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
CAS: 530147-78-5
英文同义词: BENZOIC ACID, 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL- ; 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
MDL号: MFCD03564786
氢键受体数量: 6
氢键供体数量: 3
Smile: Cc1ccc(cc1NC(=S)NC(=O)COc2ccc(cc2)C(C)(C)C)C(=O)O
InChi: InChI=1S/C21H24N2O4S/c1-13-5-6-14(19(25)26)11-17(13)22-20(28)23-18(24)12-27-16-9-7-15(8-10-16)21(2,3)4/h5-11H,12H2,1-4H3,(H,25,26)(H2,22,23,24,28)
InChiKey: InChIKey=GGCSNHXEASXGKC-UHFFFAOYSA-N

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