4-METHYL-3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS号
533921-12-9
CCD编号
CCD00396655
分子式
C20 H15 N3 O6 S
分子量
425.419

基本信息

产品名称: 4-METHYL-3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 533921-12-9
英文同义词: 4-METHYL-3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-METHYL-3-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-
MDL号: MFCD03569052
氢键受体数量: 9
氢键供体数量: 3
Smile: Cc1ccc(cc1NC(=S)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-])C(=O)O
InChi: InChI=1S/C20H15N3O6S/c1-11-5-6-13(19(25)26)10-15(11)21-20(30)22-18(24)17-8-7-16(29-17)12-3-2-4-14(9-12)23(27)28/h2-10H,1H3,(H,25,26)(H2,21,22,24,30)
InChiKey: InChIKey=NHETUDAWJAFCAG-UHFFFAOYSA-N

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