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

Systemtic Name: N-(2-methoxyethyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

InChI

InChI=1S/C17H26N4O2S/c1-14-5-3-4-6-15(14)19-17(24)21-10-8-20(9-11-21)13-16(22)18-7-12-23-2/h3-6H,7-13H2,1-2H3,(H,18,22)(H,19,24)/p+1