3-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID

CAS No.
461414-06-2
CCD No.
CCD00369147
Formula
C18 H16 Br2 N2 O4 S
MolWeight
516.208

Basic Information

Product Name: 3-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
CAS: 461414-06-2
English Synonyms: BENZOIC ACID, 3-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL- ; 3-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
MDL Number.: MFCD03245443
H bond acceptor: 6
H bond donor: 3
Smile: Cc1ccc(cc1NC(=S)NC(=O)COc2c(cc(cc2Br)Br)C)C(=O)O
InChi: InChI=1S/C18H16Br2N2O4S/c1-9-3-4-11(17(24)25)6-14(9)21-18(27)22-15(23)8-26-16-10(2)5-12(19)7-13(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
InChiKey: InChIKey=FDYWEJWFRHFYRD-UHFFFAOYSA-N

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