basic_info |
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| Product_Name: | 5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532416-55-0 |
| EnglishSynonyms: | BENZOIC ACID, 5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[[4-(1,1-DIMETHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03569754 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C19H19BrN2O3S/c1-19(2,3)12-6-4-11(5-7-12)16(23)22-18(26)21-15-9-8-13(20)10-14(15)17(24)25/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26) |
| InChiKey: | InChIKey=CSEDOCQNDPMCCQ-UHFFFAOYSA-N |
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