N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanoyl]phenyl]ethanamide

Systemtic Name: N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanoyl]phenyl]ethanamide Openeye Name: N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetyl]phenyl]acetamide CAS Name: N-[2-[2-(4-methyl-1-piperazin-4-iumyl)-1-oxo-2-sulfanylideneethyl]phenyl]acetamide IUPAC Name: N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetyl]phenyl]acetamide Traditional Name: N-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetyl]phenyl]acetamide Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)C(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)C(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H19N3O2S/c1-11(19)16-13-6-4-3-5-12(13)14(20)15(21)18-9-7-17(2)8-10-18/h3-6H,7-10H2,1-2H3,(H,16,19)/p+1