N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-keto-ethyl]-piperonylamide Formula: C27H27FN2O4S MolecularWeight: 494.577683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=CS2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)N(CC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=CS2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27FN2O4S/c1-27(2,3)30(26(32)18-6-9-21-22(14-18)34-16-33-21)15-24(31)29-12-10-23-20(11-13-35-23)25(29)17-4-7-19(28)8-5-17/h4-9,11,13-14,25H,10,12,15-16H2,1-3H3