(2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)ethanethioamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)ethanethioamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)thioacetamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)ethanethioamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)ethanethioamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(diethylamino)thioacetamide Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CC2=C(C=C1)OCO2)C(=S)N

Isomeric SMILES

CCN(CC)[C@@H](C1=CC2=C(C=C1)OCO2)C(=S)N

InChI

InChI=1S/C13H18N2O2S/c1-3-15(4-2)12(13(14)18)9-5-6-10-11(7-9)17-8-16-10/h5-7,12H,3-4,8H2,1-2H3,(H2,14,18)/t12-/m0/s1