1-(4-methylpiperazin-4-ium-1-yl)-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-sulfamoylphenyl)thiourea Formula: C12H20N5O2S2+ MolecularWeight: 330.4495

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)/p+1