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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4OS/c22-18-8-4-5-9-19(18)24-20(27)16-25-12-14-26(15-13-25)21(28)23-11-10-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,28)(H,24,27)/p+1