basic_info |
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| Product_Name: | 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531519-95-6 |
| EnglishSynonyms: | 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03565785 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2cccc(c2)C(=O)O |
| InChi: | InChI=1S/C20H22N2O4S/c1-20(2,3)14-7-9-16(10-8-14)26-12-17(23)22-19(27)21-15-6-4-5-13(11-15)18(24)25/h4-11H,12H2,1-3H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=KRGFJIXGZPLVLU-UHFFFAOYSA-N |
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