(2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide

Systemtic Name: (2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Openeye Name: (2S)-N-ethyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide CAS Name: (2S)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-N-ethyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Traditional Name: (2S)-N-ethyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-(4-propylpyridin-1-ium-1-yl)thiopropionamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-6-15-9-11-22(12-10-15)18(20(27)21-5-2)19(24)16-8-7-14(3)17(13-16)23(25)26/h7-13,18H,4-6H2,1-3H3/p+1/t18-/m0/s1