Basic Information |
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Product Name: | 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
CAS: | 532417-76-8 |
English Synonyms: | BENZOIC ACID, 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-CHLORO-3-[[[[3-[4-(1-METHYLETHYL)PHENYL]-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
MDL Number.: | MFCD03568081 |
H bond acceptor: | 5 |
H bond donor: | 3 |
Smile: | CC(C)c1ccc(cc1)/C=C/C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O |
InChi: | InChI=1S/C20H19ClN2O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)23-20(27)22-17-11-15(19(25)26)8-9-16(17)21/h3-12H,1-2H3,(H,25,26)(H2,22,23,24,27)/b10-5+ |
InChiKey: | InChIKey=ZILMERDJHZAQJS-BJMVGYQFSA-N |
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