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

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl(phenethylcarbamothioyl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[methyl(phenethylcarbamothioyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl-[(phenethylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[methyl(phenethylcarbamothioyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[methyl(phenethylthiocarbamoyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N5O2S+ MolecularWeight: 434.61854

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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)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H35N5O2S/c1-22(2,3)24-19(28)16-26-12-14-27(15-13-26)20(29)17-25(4)21(30)23-11-10-18-8-6-5-7-9-18/h5-9H,10-17H2,1-4H3,(H,23,30)(H,24,28)/p+1