N-(2-chlorophenyl)-2-[4-(3-methylsulfanylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-methylsulfanylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-methylsulfanylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[3-(methylthio)propylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-methylsulfanylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[3-(methylthio)propylthiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26ClN4OS2+ MolecularWeight: 401.99754

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CSCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C17H25ClN4OS2/c1-25-12-4-7-19-17(24)22-10-8-21(9-11-22)13-16(23)20-15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3,(H,19,24)(H,20,23)/p+1