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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H16ClF4N3O2S MolecularWeight: 461.860853

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClF4N3O2S/c20-14-10-12(21)2-3-13(14)17(28)26-18(30)25-15-9-11(19(22,23)24)1-4-16(15)27-5-7-29-8-6-27/h1-4,9-10H,5-8H2,(H2,25,26,28,30)