(2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-propanethioamide

Systemtic Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-propanethioamide Openeye Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-N-(2-furylmethyl)-3-oxo-propanethioamide CAS Name: (2R)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-fluorophenyl)-N-(2-furanylmethyl)-3-oxopropanethioamide IUPAC Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanethioamide Traditional Name: (2R)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-fluorophenyl)-N-(2-furfuryl)-3-keto-thiopropionamide Formula: C23H24FN2O2S+ MolecularWeight: 411.512263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(C=C2)F)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C23H23FN2O2S/c1-23(2,3)17-10-12-26(13-11-17)20(21(27)16-6-8-18(24)9-7-16)22(29)25-15-19-5-4-14-28-19/h4-14,20H,15H2,1-3H3/p+1/t20-/m1/s1