N-(2-tert-butylsulfanylethyl)-2,2-bis(fluoranyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2,2-bis(fluoranyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2,2-difluoro-piperonylamide Formula: C14H17F2NO3S MolecularWeight: 317.351486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C14H17F2NO3S/c1-13(2,3)21-7-6-17-12(18)9-4-5-10-11(8-9)20-14(15,16)19-10/h4-5,8H,6-7H2,1-3H3,(H,17,18)