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

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18F3N3O2S/c22-21(23,24)14-7-8-16(27-9-3-4-10-27)15(12-14)25-20(30)26-19(28)18-11-13-5-1-2-6-17(13)29-18/h1-2,5-8,11-12H,3-4,9-10H2,(H2,25,26,28,30)