(2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanethioamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanethioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanethioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanethioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanethioamide Traditional Name: (2R)-3-keto-N-piperonyl-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionamide Formula: C20H17N2O3S2+ MolecularWeight: 397.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)C(C(=O)C3=CC=CS3)[N+]4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)[C@@H](C(=O)C3=CC=CS3)[N+]4=CC=CC=C4

InChI

InChI=1S/C20H16N2O3S2/c23-19(17-5-4-10-27-17)18(22-8-2-1-3-9-22)20(26)21-12-14-6-7-15-16(11-14)25-13-24-15/h1-11,18H,12-13H2/p+1/t18-/m1/s1