2-[[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide

Systemtic Name: 2-[[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide Openeye Name: 2-[(2,6-difluoro-4-propanoyl-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide CAS Name: 2-[[2,6-difluoro-4-(1-oxopropyl)phenoxy]methyl]-N-(3-pyridinyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(2,6-difluoro-4-propanoylphenoxy)methyl]-N-pyridin-3-ylmorpholine-4-carbothioamide Traditional Name: 2-[(2,6-difluoro-4-propionyl-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide Formula: C20H21F2N3O3S MolecularWeight: 421.460846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1)F)OCC2CN(CCO2)C(=S)NC3=CN=CC=C3)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1)F)OCC2CN(CCO2)C(=S)NC3=CN=CC=C3)F

InChI

InChI=1S/C20H21F2N3O3S/c1-2-18(26)13-8-16(21)19(17(22)9-13)28-12-15-11-25(6-7-27-15)20(29)24-14-4-3-5-23-10-14/h3-5,8-10,15H,2,6-7,11-12H2,1H3,(H,24,29)