basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531542-69-5 |
| EnglishSynonyms: | 3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03567295 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)CC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O |
| InChi: | InChI=1S/C16H12Br2N2O3S/c17-10-7-11(15(22)23)14(12(18)8-10)20-16(24)19-13(21)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,22,23)(H2,19,20,21,24) |
| InChiKey: | InChIKey=WMPDKSWVMFLIJZ-UHFFFAOYSA-N |
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