basic_info |
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| Product_Name: | 5-BROMO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532951-23-8 |
| EnglishSynonyms: | BENZOIC ACID, 5-BROMO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574097 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc2c(c1)c(c(s2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br)Cl |
| InChi: | InChI=1S/C17H10BrClN2O3S2/c18-8-5-6-11(10(7-8)16(23)24)20-17(25)21-15(22)14-13(19)9-3-1-2-4-12(9)26-14/h1-7H,(H,23,24)(H2,20,21,22,25) |
| InChiKey: | InChIKey=CIMDSWBBBBNPBH-UHFFFAOYSA-N |
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