basic_info |
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| Product_Name: | 3-[3-(4-BROMO-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID |
| CAS: | 533922-58-6 |
| EnglishSynonyms: | BENZOIC ACID, 3-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO- ; 3-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID ; 3-[3-(4-BROMO-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID ; ZERENEX E/8014607 |
| pro_mdlNumber: | MFCD03569186 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O)Br |
| InChi: | InChI=1S/C15H10BrClN2O3S/c16-10-4-1-8(2-5-10)13(20)19-15(23)18-12-7-9(14(21)22)3-6-11(12)17/h1-7H,(H,21,22)(H2,18,19,20,23) |
| InChiKey: | InChIKey=GZTHPWKYZBFVCL-UHFFFAOYSA-N |
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