N-tert-butyl-2-[4-[2-[cyclohexylcarbamothioyl(methyl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[cyclohexylcarbamothioyl(methyl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[cyclohexylcarbamothioyl(methyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(cyclohexylamino)-sulfanylidenemethyl]-methylamino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[cyclohexylcarbamothioyl(methyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[cyclohexylthiocarbamoyl(methyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H38N5O2S+ MolecularWeight: 412.61302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NC2CCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NC2CCCCC2

InChI

InChI=1S/C20H37N5O2S/c1-20(2,3)22-17(26)14-24-10-12-25(13-11-24)18(27)15-23(4)19(28)21-16-8-6-5-7-9-16/h16H,5-15H2,1-4H3,(H,21,28)(H,22,26)/p+1