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

Systemtic Name: 4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

InChI=1S/C21H22F3N3O3S/c1-2-30-16-6-3-14(4-7-16)19(28)26-20(31)25-17-13-15(21(22,23)24)5-8-18(17)27-9-11-29-12-10-27/h3-8,13H,2,9-12H2,1H3,(H2,25,26,28,31)