basic_info |
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| Product_Name: | 2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| CAS: | 533918-23-9 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO- ; 2-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03568831 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCOc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl |
| InChi: | InChI=1S/C19H19ClN2O4S/c1-2-3-9-26-14-6-4-5-12(10-14)17(23)22-19(27)21-16-8-7-13(20)11-15(16)18(24)25/h4-8,10-11H,2-3,9H2,1H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=FDOSIJDHTQWYEL-UHFFFAOYSA-N |
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