N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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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=CC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18F3N3O3S/c22-21(23,24)14-5-6-16(27-7-9-29-10-8-27)15(12-14)25-20(31)26-19(28)18-11-13-3-1-2-4-17(13)30-18/h1-6,11-12H,7-10H2,(H2,25,26,28,31)