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905973-89-9 molecular structure
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2,2-diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

ChemBase ID: 155954
Molecular Formular: C23H18Cl3FN4O3S
Molecular Mass: 555.8364232
Monoisotopic Mass: 554.01492272
SMILES and InChIs

SMILES:
c1ccc(cc1)C(c1ccccc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])F
Canonical SMILES:
S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F
InChI:
InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
InChIKey:
HLCDNLNLQNYZTK-UHFFFAOYSA-N

Cite this record

CBID:155954 http://www.chembase.cn/molecule-155954.html

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