2-METHYL-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
532948-62-2
pro_cdbregno
CCD00397217
pro_formula
C21 H24 N2 O4 S
pro_molWeight
400.497

basic_info

Product_Name: 2-METHYL-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532948-62-2
EnglishSynonyms: 2-METHYL-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-METHYL-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-
pro_mdlNumber: MFCD03573862
pro_acceptors: 6
pro_donors: 3
pro_smile: Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2cccc(c2C)C(=O)O)C(C)C
InChi: InChI=1S/C21H24N2O4S/c1-12(2)15-9-8-13(3)10-18(15)27-11-19(24)23-21(28)22-17-7-5-6-16(14(17)4)20(25)26/h5-10,12H,11H2,1-4H3,(H,25,26)(H2,22,23,24,28)
InChiKey: InChIKey=UGHVLMLUYNWSCI-UHFFFAOYSA-N

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