3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(4-tert-butylphenyl)-3-keto-N-(3-methoxyphenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(C(=S)NC2=CC(=CC=C2)OC)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(C(=S)NC2=CC(=CC=C2)OC)[N+]3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-25(2,3)19-13-11-18(12-14-19)23(28)22(27-15-6-5-7-16-27)24(30)26-20-9-8-10-21(17-20)29-4/h5-17,22H,1-4H3/p+1