(2S)-2-(3-methylphenyl)-2-pyrrolidin-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3-methylphenyl)-2-pyrrolidin-1-yl-ethanethioamide Openeye Name: (2S)-2-(m-tolyl)-2-pyrrolidin-1-yl-thioacetamide CAS Name: (2S)-2-(3-methylphenyl)-2-(1-pyrrolidinyl)ethanethioamide IUPAC Name: (2S)-2-(3-methylphenyl)-2-pyrrolidin-1-ylethanethioamide Traditional Name: (2S)-2-(m-tolyl)-2-pyrrolidino-thioacetamide Formula: C13H18N2S MolecularWeight: 234.36042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=S)N)N2CCCC2

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=S)N)N2CCCC2

InChI

InChI=1S/C13H18N2S/c1-10-5-4-6-11(9-10)12(13(14)16)15-7-2-3-8-15/h4-6,9,12H,2-3,7-8H2,1H3,(H2,14,16)/t12-/m0/s1