basic_info |
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| Product_Name: | 4-METHYL-3-[[[[4-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 461414-16-4 |
| EnglishSynonyms: | 4-METHYL-3-[[[[4-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-METHYL-3-[[[[4-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03245457 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccc(cc1NC(=S)NC(=O)c2ccc(cc2)OCC(C)C)C(=O)O |
| InChi: | InChI=1S/C20H22N2O4S/c1-12(2)11-26-16-8-6-14(7-9-16)18(23)22-20(27)21-17-10-15(19(24)25)5-4-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27) |
| InChiKey: | InChIKey=JAHOFJCVSMMBAQ-UHFFFAOYSA-N |
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