basic_info |
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| Product_Name: | 3-([(BIPHENYL-4-YLCARBONYL)CARBAMOTHIOYL]AMINO)-4-CHLOROBENZOIC ACID |
| CAS: | 531520-40-8 |
| EnglishSynonyms: | BENZOIC ACID, 3-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO- ; 3-[[[([1,1'-BIPHENYL]-4-YLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID ; ZERENEX E/8014815 ; 3-([(BIPHENYL-4-YLCARBONYL)CARBAMOTHIOYL]AMINO)-4-CHLOROBENZOIC ACID ; 3-[3-(BIPHENYL-4-CARBONYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565814 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)c2ccc(cc2)C(=O)NC(=S)Nc3cc(ccc3Cl)C(=O)O |
| InChi: | InChI=1S/C21H15ClN2O3S/c22-17-11-10-16(20(26)27)12-18(17)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=IFNFHFUCKZBJSV-UHFFFAOYSA-N |
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