1-(2-piperidin-1-ium-1-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H25N6O2S2+ MolecularWeight: 421.5601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H24N6O2S2/c25-28(26,23-17-19-9-4-10-20-17)16-7-5-15(6-8-16)22-18(27)21-11-14-24-12-2-1-3-13-24/h4-10H,1-3,11-14H2,(H,19,20,23)(H2,21,22,27)/p+1