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

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O2S/c1-14(2)15-3-5-16(6-4-15)20(29)27-21(31)26-18-13-17(22(23,24)25)7-8-19(18)28-9-11-30-12-10-28/h3-8,13-14H,9-12H2,1-2H3,(H2,26,27,29,31)