1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C17H30N5O2S2+ MolecularWeight: 400.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C17H29N5O2S2/c1-5-22(6-2)26(23,24)15-8-7-14(3)16(13-15)18-17(25)19-21-11-9-20(4)10-12-21/h7-8,13H,5-6,9-12H2,1-4H3,(H2,18,19,25)/p+1