basic_info |
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| Product_Name: | 3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532415-68-2 |
| EnglishSynonyms: | BENZOIC ACID, 3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 3-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03569709 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2cccc(c2)C(=O)O |
| InChi: | InChI=1S/C21H24N2O4S/c1-2-3-4-5-13-27-18-11-9-15(10-12-18)19(24)23-21(28)22-17-8-6-7-16(14-17)20(25)26/h6-12,14H,2-5,13H2,1H3,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=SORUALDPNJZKOJ-UHFFFAOYSA-N |
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