N-(3-methoxypropyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-25-15-5-9-20-18(24)16-22-11-13-23(14-12-22)19(26)21-10-8-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,20,24)(H,21,26)/p+1