2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H24ClN4OS2+ MolecularWeight: 387.97096

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN4OS2/c1-18-15(22)12-20-7-9-21(10-8-20)16(23)19-6-11-24-14-4-2-13(17)3-5-14/h2-5H,6-12H2,1H3,(H,18,22)(H,19,23)/p+1