(2S)-N-ethyl-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanethioamide

Systemtic Name: (2S)-N-ethyl-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-N-ethyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-N-ethyl-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-N-ethyl-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-N-ethyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-keto-3-(2-thienyl)thiopropionamide Formula: C19H25N2OS2+ MolecularWeight: 361.5446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS2/c1-4-14(5-2)15-9-11-21(12-10-15)17(19(23)20-6-3)18(22)16-8-7-13-24-16/h7-14,17H,4-6H2,1-3H3/p+1/t17-/m0/s1