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

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C24H31N5O2S2 MolecularWeight: 485.66524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C24H31N5O2S2/c1-2-21(24-13-16-10-17(14-24)12-18(11-16)15-24)28-23(32)27-19-4-6-20(7-5-19)33(30,31)29-22-25-8-3-9-26-22/h3-9,16-18,21H,2,10-15H2,1H3,(H,25,26,29)(H2,27,28,32)