N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C18H31N4O3S2+ MolecularWeight: 415.59374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O3S2/c1-4-22(5-2)27(24,25)16-7-6-15(3)17(14-16)19-18(26)21-10-8-20(9-11-21)12-13-23/h6-7,14,23H,4-5,8-13H2,1-3H3,(H,19,26)/p+1