(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(furan-2-yl)ethanethioamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(furan-2-yl)ethanethioamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-furyl)thioacetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(2-furanyl)ethanethioamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(furan-2-yl)ethanethioamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-furyl)thioacetamide Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CC=CO2)C(=S)N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CO2)C(=S)N

InChI

InChI=1S/C12H17N3O2S/c1-9(16)14-4-6-15(7-5-14)11(12(13)18)10-3-2-8-17-10/h2-3,8,11H,4-7H2,1H3,(H2,13,18)/p+1/t11-/m0/s1