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

Systemtic Name: 1-cyclododecyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-cyclododecyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-cyclododecyl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-cyclododecyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-cyclododecyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C23H33N5O2S2 MolecularWeight: 475.67042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C23H33N5O2S2/c29-32(30,28-22-24-17-10-18-25-22)21-15-13-20(14-16-21)27-23(31)26-19-11-8-6-4-2-1-3-5-7-9-12-19/h10,13-19H,1-9,11-12H2,(H,24,25,28)(H2,26,27,31)