2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-3-thiophen-2-yl-propanethioamide

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-3-thiophen-2-yl-propanethioamide Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-3-(2-thienyl)propanethioamide CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-oxo-3-thiophen-2-ylpropanethioamide IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-3-thiophen-2-ylpropanethioamide Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-3-(2-thienyl)thiopropionamide Formula: C18H23N2OS2+ MolecularWeight: 347.51802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS2/c1-5-19-17(22)15(16(21)14-7-6-12-23-14)20-10-8-13(9-11-20)18(2,3)4/h6-12,15H,5H2,1-4H3/p+1