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

Systemtic Name: 2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(2-chloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(2-chlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C15H22ClN4OS+ MolecularWeight: 341.87938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C15H21ClN4OS/c1-18(2)14(21)11-19-7-9-20(10-8-19)15(22)17-13-6-4-3-5-12(13)16/h3-6H,7-11H2,1-2H3,(H,17,22)/p+1