(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methylphenyl)ethanethioamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methylphenyl)ethanethioamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(m-tolyl)thioacetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(3-methylphenyl)ethanethioamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methylphenyl)ethanethioamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(m-tolyl)thioacetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=S)N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=S)N)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H21N3OS/c1-11-4-3-5-13(10-11)14(15(16)20)18-8-6-17(7-9-18)12(2)19/h3-5,10,14H,6-9H2,1-2H3,(H2,16,20)/p+1/t14-/m0/s1