basic_info |
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| Product_Name: | 5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530146-22-6 |
| EnglishSynonyms: | 5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03564664 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCOc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C17H15BrN2O4S/c1-2-24-12-6-3-10(4-7-12)15(21)20-17(25)19-14-8-5-11(18)9-13(14)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25) |
| InChiKey: | InChIKey=KKOHQNBNLKMIBV-UHFFFAOYSA-N |
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