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

Systemtic Name: 3-chloranyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17ClF3N3O2S MolecularWeight: 443.87039

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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=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3N3O2S/c20-14-3-1-2-12(10-14)17(27)25-18(29)24-15-11-13(19(21,22)23)4-5-16(15)26-6-8-28-9-7-26/h1-5,10-11H,6-9H2,(H2,24,25,27,29)