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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H28ClN4OS2+ MolecularWeight: 416.02412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4OS2/c1-14(2)21-17(24)13-22-8-10-23(11-9-22)18(25)20-7-12-26-16-5-3-15(19)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,20,25)(H,21,24)/p+1