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

pro_cas
535948-16-4
pro_cdbregno
CCD00397010
pro_formula
C18 H13 Br2 Cl N2 O4 S
pro_molWeight
548.638

basic_info

Product_Name: 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535948-16-4
EnglishSynonyms: BENZOIC ACID, 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-CHLORO-5-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03572027
pro_acceptors: 6
pro_donors: 3
pro_smile: COc1c(cc(cc1Br)Br)/C=C/C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
InChi: InChI=1S/C18H13Br2ClN2O4S/c1-27-16-9(6-10(19)7-13(16)20)2-5-15(24)23-18(28)22-11-3-4-14(21)12(8-11)17(25)26/h2-8H,1H3,(H,25,26)(H2,22,23,24,28)/b5-2+
InChiKey: InChIKey=NOBSKBDAUAMZRM-GORDUTHDSA-N

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