basic_info |
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| Product_Name: | 5-BROMO-2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531530-54-8 |
| EnglishSynonyms: | 5-BROMO-2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[[[5-(3-CHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03566015 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br |
| InChi: | InChI=1S/C19H12BrClN2O4S/c20-11-4-5-14(13(9-11)18(25)26)22-19(28)23-17(24)16-7-6-15(27-16)10-2-1-3-12(21)8-10/h1-9H,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=RJVFUGQUINAOCA-UHFFFAOYSA-N |
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