4-fluoranyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-fluoro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-fluoro-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-fluoro-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17F4N3OS MolecularWeight: 411.416393

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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=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H17F4N3OS/c20-14-6-3-12(4-7-14)17(27)25-18(28)24-15-11-13(19(21,22)23)5-8-16(15)26-9-1-2-10-26/h3-8,11H,1-2,9-10H2,(H2,24,25,27,28)