(2R)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2R)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-N-allyl-3-oxo-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)propanimidothioate CAS Name: (2R)-3-oxo-N-prop-2-enyl-2-(4-propyl-1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-3-oxo-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-N-allyl-3-keto-2-(4-propylpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionimidate Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=CS2)C(=NCC=C)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=CS2)C(=NCC=C)[S-]

InChI

InChI=1S/C18H20N2OS2/c1-3-6-14-8-11-20(12-9-14)16(18(22)19-10-4-2)17(21)15-7-5-13-23-15/h4-5,7-9,11-13,16H,2-3,6,10H2,1H3/t16-/m1/s1