N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28N5O3S2+ MolecularWeight: 426.57662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H27N5O3S2/c1-21(2)28(25,26)16-5-3-4-15(12-16)20-18(27)23-10-8-22(9-11-23)13-17(24)19-14-6-7-14/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,24)(H,20,27)/p+1