3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-propanethioamide CAS Name: 3-(4-tert-butylphenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-oxopropanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxopropanethioamide Traditional Name: 3-(4-tert-butylphenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-thiopropionamide Formula: C24H33N2OS+ MolecularWeight: 397.59662

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(C=C1)C(C)(C)C)[N+]2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(C=C1)C(C)(C)C)[N+]2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H32N2OS/c1-8-25-22(28)20(26-15-13-19(14-16-26)24(5,6)7)21(27)17-9-11-18(12-10-17)23(2,3)4/h9-16,20H,8H2,1-7H3/p+1