basic_info |
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| Product_Name: | 3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532417-81-5 |
| EnglishSynonyms: | BENZOIC ACID, 3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03569806 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)OCc2cccc(c2)C(=O)NC(=S)Nc3cccc(c3)C(=O)O |
| InChi: | InChI=1S/C22H18N2O4S/c25-20(24-22(29)23-18-9-5-8-17(13-18)21(26)27)16-7-4-6-15(12-16)14-28-19-10-2-1-3-11-19/h1-13H,14H2,(H,26,27)(H2,23,24,25,29) |
| InChiKey: | InChIKey=FGYGZHIWHQHLSW-UHFFFAOYSA-N |
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