N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(m-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(m-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=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC

InChI

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