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

Systemtic Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(4-chloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C16H24ClN4O2S+ MolecularWeight: 371.90536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2S/c1-23-11-6-18-15(22)12-20-7-9-21(10-8-20)16(24)19-14-4-2-13(17)3-5-14/h2-5H,6-12H2,1H3,(H,18,22)(H,19,24)/p+1