2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(cyclohexylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-(cyclohexylcarbamothioyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-(cyclohexylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C16H31N4O2S+ MolecularWeight: 343.50794

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2CCCCC2

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2CCCCC2

InChI

InChI=1S/C16H30N4O2S/c1-22-12-7-17-15(21)13-19-8-10-20(11-9-19)16(23)18-14-5-3-2-4-6-14/h14H,2-13H2,1H3,(H,17,21)(H,18,23)/p+1