basic_info |
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| Product_Name: | BUTYL 4-[[([1-[(4-BROMOBENZOYL)AMINO]-2,2,2-TRICHLOROETHYL]AMINO)CARBOTHIOYL]AMINO]BENZOATE |
| CAS: | 303062-63-7 |
| EnglishSynonyms: | BUTYL 4-[[([1-[(4-BROMOBENZOYL)AMINO]-2,2,2-TRICHLOROETHYL]AMINO)CARBOTHIOYL]AMINO]BENZOATE |
| pro_mdlNumber: | MFCD00648684 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | CCCCOC(=O)c1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)Br |
| InChi: | InChI=1S/C21H21BrCl3N3O3S/c1-2-3-12-31-18(30)14-6-10-16(11-7-14)26-20(32)28-19(21(23,24)25)27-17(29)13-4-8-15(22)9-5-13/h4-11,19H,2-3,12H2,1H3,(H,27,29)(H2,26,28,32) |
| InChiKey: | InChIKey=OKVGAXCEYVYKNJ-UHFFFAOYSA-N |
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