2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(2-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(2-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC

InChI

InChI=1S/C16H24N4OS/c1-3-13-6-4-5-7-14(13)18-16(22)20-10-8-19(9-11-20)12-15(21)17-2/h4-7H,3,8-12H2,1-2H3,(H,17,21)(H,18,22)/p+1