5-(3-nitrophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-2-furamide Formula: C23H19F3N4O4S MolecularWeight: 504.48157

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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(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19F3N4O4S/c24-23(25,26)15-6-7-18(29-10-1-2-11-29)17(13-15)27-22(35)28-21(31)20-9-8-19(34-20)14-4-3-5-16(12-14)30(32)33/h3-9,12-13H,1-2,10-11H2,(H2,27,28,31,35)