3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID

pro_cas
532978-58-8
pro_cdbregno
CCD00396845
pro_formula
C18 H14 Br Cl N2 O4 S
pro_molWeight
469.742

basic_info

Product_Name: 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
CAS: 532978-58-8
EnglishSynonyms: 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID ; BENZOIC ACID, 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-
pro_mdlNumber: MFCD03570537
pro_acceptors: 6
pro_donors: 3
pro_smile: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O)Br
InChi: InChI=1S/C18H14BrClN2O4S/c1-26-15-6-4-12(19)8-10(15)3-7-16(23)22-18(27)21-14-9-11(17(24)25)2-5-13(14)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-3+
InChiKey: InChIKey=XDUZLIDKBIITTB-XVNBXDOJSA-N

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