(2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: (2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: (2R)-3-(4-chlorophenyl)-N-(2-furylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: (2R)-3-(4-chlorophenyl)-N-(2-furanylmethyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: (2R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: (2R)-3-(4-chlorophenyl)-N-(2-furfuryl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C20H18ClN2O2S+ MolecularWeight: 385.88712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(C=C2)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@H](C(=O)C2=CC=C(C=C2)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H17ClN2O2S/c1-14-4-2-10-23(13-14)18(19(24)15-6-8-16(21)9-7-15)20(26)22-12-17-5-3-11-25-17/h2-11,13,18H,12H2,1H3/p+1/t18-/m1/s1