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

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(2-furylmethyl)-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-N-(2-furanylmethyl)-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(2-furfuryl)-3-keto-3-(2-thienyl)thiopropionamide Formula: C22H25N2O2S2+ MolecularWeight: 413.5761

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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)NCC3=CC=CO3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=CS2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C22H24N2O2S2/c1-3-16(4-2)17-9-11-24(12-10-17)20(21(25)19-8-6-14-28-19)22(27)23-15-18-7-5-13-26-18/h5-14,16,20H,3-4,15H2,1-2H3/p+1/t20-/m0/s1