2-[4-(2-phenylsulfanylethylcarbamothioyl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-phenylsulfanylethylcarbamothioyl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(2-phenylsulfanylethylcarbamothioyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2-phenylsulfanylethylcarbamothioyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(phenylthio)ethylthiocarbamoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H29N4OS2+ MolecularWeight: 381.57906

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C18H28N4OS2/c1-2-8-19-17(23)15-21-10-12-22(13-11-21)18(24)20-9-14-25-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,23)(H,20,24)/p+1