2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(3-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(3-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(3-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=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC

InChI

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