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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H27N6O2S2+ MolecularWeight: 483.62948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2S2/c30-33(31,28-22-24-13-4-14-25-22)21-9-7-19(8-10-21)26-23(32)27-20-11-15-29(16-12-20)17-18-5-2-1-3-6-18/h1-10,13-14,20H,11-12,15-17H2,(H,24,25,28)(H2,26,27,32)/p+1