basic_info |
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| Product_Name: | 2-CHLORO-5-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 531516-01-5 |
| EnglishSynonyms: | 2-CHLORO-5-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-CHLORO-5-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03453802 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)CC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl |
| InChi: | InChI=1S/C16H13ClN2O3S/c17-13-7-6-11(9-12(13)15(21)22)18-16(23)19-14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)(H2,18,19,20,23) |
| InChiKey: | InChIKey=RUPMSMSFXGQDKL-UHFFFAOYSA-N |
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