1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H22N7O2S2+ MolecularWeight: 408.52158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H21N7O2S2/c1-22-9-11-23(12-10-22)20-16(26)19-13-3-5-14(6-4-13)27(24,25)21-15-17-7-2-8-18-15/h2-8H,9-12H2,1H3,(H,17,18,21)(H2,19,20,26)/p+1