basic_info |
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| Product_Name: | 2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| CAS: | 532951-74-9 |
| EnglishSynonyms: | BENZOIC ACID, 2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO- ; 2-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03574141 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)c2ccc(cc2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Cl |
| InChi: | InChI=1S/C21H15ClN2O3S/c22-16-10-11-18(17(12-16)20(26)27)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28) |
| InChiKey: | InChIKey=YWSNOTNMARBLDE-UHFFFAOYSA-N |
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