2-[4-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(3,5-dichloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(3,5-dichlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C14H19Cl2N4OS+ MolecularWeight: 362.29786

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H18Cl2N4OS/c1-17-13(21)9-19-2-4-20(5-3-19)14(22)18-12-7-10(15)6-11(16)8-12/h6-8H,2-5,9H2,1H3,(H,17,21)(H,18,22)/p+1