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

CAS No.
532938-61-7
CCD No.
CCD00396600
Formula
C20 H20 Br2 N2 O4 S
MolWeight
544.262

Basic Information

Product Name: 3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532938-61-7
English Synonyms: 3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 3,5-DIBROMO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-
MDL Number.: MFCD03568577
H bond acceptor: 6
H bond donor: 3
Smile: Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)C(C)C
InChi: InChI=1S/C20H20Br2N2O4S/c1-10(2)13-5-4-11(3)6-16(13)28-9-17(25)23-20(29)24-18-14(19(26)27)7-12(21)8-15(18)22/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,23,24,25,29)
InChiKey: InChIKey=IMLNFWOXRGTSRO-UHFFFAOYSA-N

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