(2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide

Systemtic Name: (2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-N-allyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-N-allyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionamide Formula: C16H17N2OS2+ MolecularWeight: 317.44898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=CS2)C(=S)NCC=C

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=CS2)C(=S)NCC=C

InChI

InChI=1S/C16H16N2OS2/c1-3-8-17-16(20)14(15(19)13-7-5-10-21-13)18-9-4-6-12(2)11-18/h3-7,9-11,14H,1,8H2,2H3/p+1/t14-/m0/s1