N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C15H25N4O3S2+ MolecularWeight: 373.514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O3S2/c1-17(2)24(21,22)14-5-3-4-13(12-14)16-15(23)19-8-6-18(7-9-19)10-11-20/h3-5,12,20H,6-11H2,1-2H3,(H,16,23)/p+1