basic_info |
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| Product_Name: | 2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| CAS: | 535939-98-1 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO- ; 2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03571435 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl |
| InChi: | InChI=1S/C19H19ClN2O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)22-19(27)21-16-9-6-13(20)11-15(16)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=IQIHJKVCGQWWTR-UHFFFAOYSA-N |
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