basic_info |
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| Product_Name: | 4-CHLORO-3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 536977-88-5 |
| EnglishSynonyms: | 4-CHLORO-3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-CHLORO-3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03573365 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O |
| InChi: | InChI=1S/C20H21ClN2O4S/c1-20(2,3)13-5-7-14(8-6-13)27-11-17(24)23-19(28)22-16-10-12(18(25)26)4-9-15(16)21/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=RYNIOABPAZNRIY-UHFFFAOYSA-N |
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