basic_info |
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| Product_Name: | 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 536979-03-0 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03573482 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCCCOc1ccc(cc1)C(=O)NC(=S)Nc2ccccc2C(=O)O |
| InChi: | InChI=1S/C21H24N2O4S/c1-2-3-4-7-14-27-16-12-10-15(11-13-16)19(24)23-21(28)22-18-9-6-5-8-17(18)20(25)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,25,26)(H2,22,23,24,28) |
| InChiKey: | InChIKey=ODNFKZGAPNSCNW-UHFFFAOYSA-N |
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