3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanethioamide

Systemtic Name: 3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanethioamide Openeye Name: N-benzyl-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanethioamide CAS Name: 3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanethioamide IUPAC Name: N-benzyl-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanethioamide Traditional Name: N-benzyl-3-keto-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionamide Formula: C19H17N2OS2+ MolecularWeight: 353.48108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3

InChI

InChI=1S/C19H16N2OS2/c22-18(16-10-7-13-24-16)17(21-11-5-2-6-12-21)19(23)20-14-15-8-3-1-4-9-15/h1-13,17H,14H2/p+1