6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-methyl-N-(3-methylsulfanylpropoxy)benzimidazole-5-carboxamide

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-methyl-N-(3-methylsulfanylpropoxy)benzimidazole-5-carboxamide Openeye Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-methyl-N-(3-methylsulfanylpropoxy)benzimidazole-5-carboxamide CAS Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-methyl-N-[3-(methylthio)propoxy]-5-benzimidazolecarboxamide IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-methyl-N-(3-methylsulfanylpropoxy)benzimidazole-5-carboxamide Traditional Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-methyl-N-[3-(methylthio)propoxy]benzimidazole-5-carboxamide Formula: C19H19BrClFN4O2S MolecularWeight: 501.800163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCCSC

Isomeric SMILES

CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCCSC

InChI

InChI=1S/C19H19BrClFN4O2S/c1-26-10-23-18-15(26)9-12(19(27)25-28-6-3-7-29-2)17(16(18)22)24-14-5-4-11(20)8-13(14)21/h4-5,8-10,24H,3,6-7H2,1-2H3,(H,25,27)