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

Systemtic Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(4-chloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H22ClN4OS+ MolecularWeight: 353.89008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4OS/c17-12-1-3-14(4-2-12)19-16(23)21-9-7-20(8-10-21)11-15(22)18-13-5-6-13/h1-4,13H,5-11H2,(H,18,22)(H,19,23)/p+1