N-[4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]-3-oxidanyl-quinoline-8-carboxamide

Systemtic Name: N-[4-[[5-fluoranyl-2-(3-methylsulfanylphenoxy)pyridin-3-yl]carbonylamino]cyclohexyl]-3-oxidanyl-quinoline-8-carboxamide Openeye Name: N-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]-3-hydroxy-quinoline-8-carboxamide CAS Name: N-[4-[[[5-fluoro-2-[3-(methylthio)phenoxy]-3-pyridinyl]-oxomethyl]amino]cyclohexyl]-3-hydroxy-8-quinolinecarboxamide IUPAC Name: N-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]-3-hydroxyquinoline-8-carboxamide Traditional Name: N-[4-[[5-fluoro-2-[3-(methylthio)phenoxy]nicotinoyl]amino]cyclohexyl]-3-hydroxy-quinoline-8-carboxamide Formula: C29H27FN4O4S MolecularWeight: 546.612483

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC5=CC(=CN=C54)O)F

Isomeric SMILES

CSC1=CC=CC(=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC5=CC(=CN=C54)O)F

InChI

InChI=1S/C29H27FN4O4S/c1-39-23-6-3-5-22(14-23)38-29-25(13-18(30)15-32-29)28(37)34-20-10-8-19(9-11-20)33-27(36)24-7-2-4-17-12-21(35)16-31-26(17)24/h2-7,12-16,19-20,35H,8-11H2,1H3,(H,33,36)(H,34,37)