basic_info |
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| Product_Name: | 3-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID |
| CAS: | 532414-86-1 |
| EnglishSynonyms: | 3-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID ; BENZOIC ACID, 3-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL- |
| pro_mdlNumber: | MFCD03569672 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccc(cc1NC(=S)NC(=O)c2cc(ccc2Br)[N+](=O)[O-])C(=O)O |
| InChi: | InChI=1S/C16H12BrN3O5S/c1-8-2-3-9(15(22)23)6-13(8)18-16(26)19-14(21)11-7-10(20(24)25)4-5-12(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,26) |
| InChiKey: | InChIKey=UZZVEUVFWVWAQU-UHFFFAOYSA-N |
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