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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H26ClN4OS2+ MolecularWeight: 414.00824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H25ClN4OS2/c19-14-1-5-16(6-2-14)26-12-7-20-18(25)23-10-8-22(9-11-23)13-17(24)21-15-3-4-15/h1-2,5-6,15H,3-4,7-13H2,(H,20,25)(H,21,24)/p+1