2-[(6-ethanoyl-2,3-dimethoxy-phenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide

Systemtic Name: 2-[(6-ethanoyl-2,3-dimethoxy-phenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide Openeye Name: 2-[(6-acetyl-2,3-dimethoxy-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide CAS Name: 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(3-pyridinyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-pyridin-3-ylmorpholine-4-carbothioamide Traditional Name: 2-[(6-acetyl-2,3-dimethoxy-phenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-14(25)17-6-7-18(26-2)20(27-3)19(17)29-13-16-12-24(9-10-28-16)21(30)23-15-5-4-8-22-11-15/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,23,30)