basic_info |
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| Product_Name: | 5-BROMO-2-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535947-00-3 |
| EnglishSynonyms: | BENZOIC ACID, 5-BROMO-2-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03571921 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1ccc(cc1C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br)Br |
| InChi: | InChI=1S/C16H12Br2N2O4S/c1-24-13-5-3-9(18)7-11(13)14(21)20-16(25)19-12-4-2-8(17)6-10(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25) |
| InChiKey: | InChIKey=JPNKFYHHKNHODJ-UHFFFAOYSA-N |
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