basic_info |
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| Product_Name: | 2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| CAS: | 531517-09-6 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565618 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccc(cc1C)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I |
| InChi: | InChI=1S/C17H15IN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-14-6-5-12(18)8-13(14)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24) |
| InChiKey: | InChIKey=SILOWLHIZBJXGX-UHFFFAOYSA-N |
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