basic_info |
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| Product_Name: | 3,5-DIBROMO-2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535955-20-5 |
| EnglishSynonyms: | BENZOIC ACID, 3,5-DIBROMO-2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 3,5-DIBROMO-2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03572254 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCOc1cccc(c1)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O |
| InChi: | InChI=1S/C19H18Br2N2O4S/c1-2-3-7-27-13-6-4-5-11(8-13)17(24)23-19(28)22-16-14(18(25)26)9-12(20)10-15(16)21/h4-6,8-10H,2-3,7H2,1H3,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=CDBNWRYVDTXXRN-UHFFFAOYSA-N |
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