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

Systemtic Name: N-(2-methoxyethyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-24-14-9-19-17(23)15-21-10-12-22(13-11-21)18(25)20-8-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,19,23)(H,20,25)/p+1