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

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(furan-2-ylmethyl)-3-oxidanylidene-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-furylmethyl)-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(2-furanylmethyl)-3-oxo-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(furan-2-ylmethyl)-3-oxo-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-furfuryl)-3-keto-3-(2-thienyl)thiopropionamide Formula: C19H20N3O2S2+ MolecularWeight: 386.511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S2/c1-21(2)14-7-9-22(10-8-14)17(18(23)16-6-4-12-26-16)19(25)20-13-15-5-3-11-24-15/h3-12,17H,13H2,1-2H3/p+1/t17-/m0/s1