4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE

CAS号
769150-28-9
CCD编号
CCD00487772
分子式
C23 H20 Br N3 O4 S
分子量
514.398

基本信息

产品名称: 4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
CAS: 769150-28-9
英文同义词: 4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 4-METHOXYBENZOATE
MDL号: MFCD05153976
氢键受体数量: 7
氢键供体数量: 2
Smile: COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=S)Nc3ccc(cc3)OC)Br
InChi: InChI=1S/C23H20BrN3O4S/c1-29-19-8-3-15(4-9-19)22(28)31-21-12-5-17(24)13-16(21)14-25-27-23(32)26-18-6-10-20(30-2)11-7-18/h3-14H,1-2H3,(H2,26,27,32)/b25-14+
InChiKey: InChIKey=FOQLNPYVSVBQCC-AFUMVMLFSA-N

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