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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(o-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24ClN4OS+ MolecularWeight: 403.94876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4OS/c1-15-6-2-4-8-17(15)23-20(27)25-12-10-24(11-13-25)14-19(26)22-18-9-5-3-7-16(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1