3-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID

CAS No.
531542-06-0
CCD No.
CCD00396450
Formula
C17 H14 Br2 N2 O4 S
MolWeight
502.182

Basic Information

Product Name: 3-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
CAS: 531542-06-0
English Synonyms: BENZOIC ACID, 3-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL- ; 3-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
MDL Number.: MFCD03567265
H bond acceptor: 6
H bond donor: 3
Smile: Cc1c(cccc1NC(=S)NC(=O)c2cc(cc(c2OC)Br)Br)C(=O)O
InChi: InChI=1S/C17H14Br2N2O4S/c1-8-10(16(23)24)4-3-5-13(8)20-17(26)21-15(22)11-6-9(18)7-12(19)14(11)25-2/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,26)
InChiKey: InChIKey=XFONXBNSKUVEIK-UHFFFAOYSA-N

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