2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide

Systemtic Name: 2-[(4-ethanoyl-3-fluoranyl-phenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-(3-pyridinyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-fluorophenoxy)methyl]-N-pyridin-3-ylmorpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-fluoro-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O3S/c1-13(24)17-5-4-15(9-18(17)20)26-12-16-11-23(7-8-25-16)19(27)22-14-3-2-6-21-10-14/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,27)