2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethyloxy)phenyl]morpholine-4-carbothioamide

Systemtic Name: 2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethyloxy)phenyl]morpholine-4-carbothioamide Openeye Name: 2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide CAS Name: 2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethoxy)phenyl]-4-morpholinecarbothioamide IUPAC Name: 2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide Traditional Name: 2-[(3-ethynylphenoxy)methyl]-N-[2-(trifluoromethoxy)phenyl]morpholine-4-carbothioamide Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)OCC2CN(CCO2)C(=S)NC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C21H19F3N2O3S/c1-2-15-6-5-7-16(12-15)28-14-17-13-26(10-11-27-17)20(30)25-18-8-3-4-9-19(18)29-21(22,23)24/h1,3-9,12,17H,10-11,13-14H2,(H,25,30)