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

Systemtic Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)14-5-6-16(27-8-2-1-3-9-27)15(11-14)25-20(31)26-19(28)13-4-7-17-18(10-13)30-12-29-17/h4-7,10-11H,1-3,8-9,12H2,(H2,25,26,28,31)