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

Systemtic Name: 1-[4-(piperidin-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(1-piperidylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[4-(1-piperidinylmethyl)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[4-(piperidin-1-ylmethyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(piperidinomethyl)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H26N6O2S2 MolecularWeight: 482.62154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C23H26N6O2S2/c30-33(31,28-22-24-13-4-14-25-22)21-11-9-20(10-12-21)27-23(32)26-19-7-5-18(6-8-19)17-29-15-2-1-3-16-29/h4-14H,1-3,15-17H2,(H,24,25,28)(H2,26,27,32)