3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID

CAS号
530156-67-3
CCD编号
CCD00396248
分子式
C16 H12 Br Cl N2 O4 S
分子量
443.704

基本信息

产品名称: 3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
CAS: 530156-67-3
英文同义词: BENZOIC ACID, 3-[[[(3-BROMO-4-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO- ; 3-[[[(3-BROMO-4-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID ; ZERENEX E/8015465 ; 3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
MDL号: MFCD03565453
氢键受体数量: 6
氢键供体数量: 3
Smile: COc1ccc(cc1Br)C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
InChi: InChI=1S/C16H12BrClN2O4S/c1-24-13-5-3-8(6-10(13)17)14(21)20-16(25)19-12-7-9(15(22)23)2-4-11(12)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)
InChiKey: InChIKey=AGYRMXSEKLXXOG-UHFFFAOYSA-N

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