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| Product_Name: | 5-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID |
| CAS: | 530152-49-9 |
| EnglishSynonyms: | BENZOIC ACID, 5-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO- ; 5-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565072 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl)Br |
| InChi: | InChI=1S/C18H14BrClN2O4S/c1-26-15-6-3-11(19)8-10(15)2-7-16(23)22-18(27)21-12-4-5-14(20)13(9-12)17(24)25/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-2+ |
| InChiKey: | InChIKey=IZTOTAQCKOFSRQ-FARCUNLSSA-N |
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