2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-3-thiophen-2-yl-propanethioamide

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxidanylidene-3-thiophen-2-yl-propanethioamide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxo-3-(2-thienyl)propanethioamide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-oxo-3-thiophen-2-ylpropanethioamide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-oxo-3-thiophen-2-ylpropanethioamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-keto-3-(2-thienyl)thiopropionamide Formula: C16H20N3OS2+ MolecularWeight: 334.4795

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=CS1)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=CS1)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H19N3OS2/c1-4-17-16(21)14(15(20)13-6-5-11-22-13)19-9-7-12(8-10-19)18(2)3/h5-11,14H,4H2,1-3H3/p+1