N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22F3N3O2S/c22-21(23,24)16-7-8-18(27-10-12-29-13-11-27)17(14-16)25-20(30)26-19(28)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2,(H2,25,26,28,30)