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

Systemtic Name: (2S)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide Openeye Name: (2S)-N-allyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-oxo-3-(2-thienyl)propanethioamide CAS Name: (2S)-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide IUPAC Name: (2S)-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide Traditional Name: (2S)-N-allyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-keto-3-(2-thienyl)thiopropionamide Formula: C20H25N2OS2+ MolecularWeight: 373.5553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS2/c1-4-11-21-20(24)18(19(23)17-8-7-14-25-17)22-12-9-16(10-13-22)15(5-2)6-3/h4,7-10,12-15,18H,1,5-6,11H2,2-3H3/p+1/t18-/m0/s1