basic_info |
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| Product_Name: | 2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532414-68-9 |
| EnglishSynonyms: | 2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03569657 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(c(c1)C(=O)O)NC(=S)NC(=O)CCCCl |
| InChi: | InChI=1S/C12H13ClN2O3S/c13-7-3-6-10(16)15-12(19)14-9-5-2-1-4-8(9)11(17)18/h1-2,4-5H,3,6-7H2,(H,17,18)(H2,14,15,16,19) |
| InChiKey: | InChIKey=NMESXFCJIPCQEO-UHFFFAOYSA-N |
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