2-[(3-ethynylphenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide

Systemtic Name: 2-[(3-ethynylphenoxy)methyl]-N-pyridin-3-yl-morpholine-4-carbothioamide Openeye Name: 2-[(3-ethynylphenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide CAS Name: 2-[(3-ethynylphenoxy)methyl]-N-(3-pyridinyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(3-ethynylphenoxy)methyl]-N-pyridin-3-ylmorpholine-4-carbothioamide Traditional Name: 2-[(3-ethynylphenoxy)methyl]-N-(3-pyridyl)morpholine-4-carbothioamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-15-5-3-7-17(11-15)24-14-18-13-22(9-10-23-18)19(25)21-16-6-4-8-20-12-16/h1,3-8,11-12,18H,9-10,13-14H2,(H,21,25)