N-[4-(butanoylamino)cyclohexyl]-5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

Systemtic Name: N-[4-(butanoylamino)cyclohexyl]-5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide Openeye Name: N-[4-(butanoylamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide CAS Name: 5-fluoro-2-[3-(methylthio)phenoxy]-N-[4-(1-oxobutylamino)cyclohexyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(butanoylamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide Traditional Name: N-(4-butyramidocyclohexyl)-5-fluoro-2-[3-(methylthio)phenoxy]nicotinamide Formula: C23H28FN3O3S MolecularWeight: 445.550123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1CCC(CC1)NC(=O)C2=CC(=CN=C2OC3=CC(=CC=C3)SC)F

Isomeric SMILES

CCCC(=O)NC1CCC(CC1)NC(=O)C2=CC(=CN=C2OC3=CC(=CC=C3)SC)F

InChI

InChI=1S/C23H28FN3O3S/c1-3-5-21(28)26-16-8-10-17(11-9-16)27-22(29)20-12-15(24)14-25-23(20)30-18-6-4-7-19(13-18)31-2/h4,6-7,12-14,16-17H,3,5,8-11H2,1-2H3,(H,26,28)(H,27,29)