basic_info |
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| Product_Name: | 5-BROMO-2-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 533918-94-4 |
| EnglishSynonyms: | 5-BROMO-2-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[(4-PROPOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03568865 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C18H17BrN2O4S/c1-2-9-25-13-6-3-11(4-7-13)16(22)21-18(26)20-15-8-5-12(19)10-14(15)17(23)24/h3-8,10H,2,9H2,1H3,(H,23,24)(H2,20,21,22,26) |
| InChiKey: | InChIKey=XFNDATLXCNKTAB-UHFFFAOYSA-N |
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