basic_info |
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| Product_Name: | 2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 536977-79-4 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03573357 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2ccccc2C(=O)O |
| InChi: | InChI=1S/C20H22N2O4S/c1-20(2,3)13-8-10-14(11-9-13)26-12-17(23)22-19(27)21-16-7-5-4-6-15(16)18(24)25/h4-11H,12H2,1-3H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=SEHNOVPUFVWLFX-UHFFFAOYSA-N |
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