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

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C20H18F3N3O3S MolecularWeight: 437.43543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18F3N3O3S/c21-20(22,23)13-4-5-15(26-7-1-2-8-26)14(10-13)24-19(30)25-18(27)12-3-6-16-17(9-12)29-11-28-16/h3-6,9-10H,1-2,7-8,11H2,(H2,24,25,27,30)