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

pro_cas
535965-68-5
pro_cdbregno
CCD00397100
pro_formula
C18 H14 Br I N2 O4 S
pro_molWeight
561.189

basic_info

Product_Name: 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
CAS: 535965-68-5
EnglishSynonyms: BENZOIC ACID, 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO- ; 2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
pro_mdlNumber: MFCD03572835
pro_acceptors: 6
pro_donors: 3
pro_smile: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I)Br
InChi: InChI=1S/C18H14BrIN2O4S/c1-26-15-6-3-11(19)8-10(15)2-7-16(23)22-18(27)21-14-5-4-12(20)9-13(14)17(24)25/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-2+
InChiKey: InChIKey=YGCSATCJOJALQM-FARCUNLSSA-N

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