(2S)-3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2S)-3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2S)-3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2S)-3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-3-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2S)-3-(4-ethylphenyl)-3-keto-N-p-anisyl-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=S)NCC2=CC=C(C=C2)OC)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C(=S)NCC2=CC=C(C=C2)OC)[N+]3=CC=CC=C3

InChI

InChI=1S/C24H24N2O2S/c1-3-18-7-11-20(12-8-18)23(27)22(26-15-5-4-6-16-26)24(29)25-17-19-9-13-21(28-2)14-10-19/h4-16,22H,3,17H2,1-2H3/p+1/t22-/m0/s1