basic_info |
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| Product_Name: | 5-BROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535978-29-1 |
| EnglishSynonyms: | BENZOIC ACID, 5-BROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03573139 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccccc1OCC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C17H15BrN2O4S/c1-10-4-2-3-5-14(10)24-9-15(21)20-17(25)19-13-7-6-11(18)8-12(13)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25) |
| InChiKey: | InChIKey=URLBRYPQENTFSQ-UHFFFAOYSA-N |
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