3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
531519-95-6
pro_cdbregno
CCD00396291
pro_formula
C20 H22 N2 O4 S
pro_molWeight
386.47

basic_info

Product_Name: 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 531519-95-6
EnglishSynonyms: 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-
pro_mdlNumber: MFCD03565785
pro_acceptors: 6
pro_donors: 3
pro_smile: CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2cccc(c2)C(=O)O
InChi: InChI=1S/C20H22N2O4S/c1-20(2,3)14-7-9-16(10-8-14)26-12-17(23)22-19(27)21-15-6-4-5-13(11-15)18(24)25/h4-11H,12H2,1-3H3,(H,24,25)(H2,21,22,23,27)
InChiKey: InChIKey=KRGFJIXGZPLVLU-UHFFFAOYSA-N

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