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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21BrF3N3O3S MolecularWeight: 532.37395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrF3N3O3S/c1-2-31-18-6-3-13(11-15(18)22)19(29)27-20(32)26-16-12-14(21(23,24)25)4-5-17(16)28-7-9-30-10-8-28/h3-6,11-12H,2,7-10H2,1H3,(H2,26,27,29,32)