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

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C17H16F3N3OS2 MolecularWeight: 399.45365

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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=CS3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16F3N3OS2/c18-17(19,20)11-5-6-13(23-7-1-2-8-23)12(10-11)21-16(25)22-15(24)14-4-3-9-26-14/h3-6,9-10H,1-2,7-8H2,(H2,21,22,24,25)