N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H24F3N3O3S MolecularWeight: 467.50447

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

InChI=1S/C22H24F3N3O3S/c1-2-11-31-17-6-3-15(4-7-17)20(29)27-21(32)26-18-14-16(22(23,24)25)5-8-19(18)28-9-12-30-13-10-28/h3-8,14H,2,9-13H2,1H3,(H2,26,27,29,32)