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

Systemtic Name: 1-(1-adamantyl)-1-methyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-1-methyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(1-adamantyl)-1-methyl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-1-methyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-1-methyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N5O2S2/c1-27(22-12-15-9-16(13-22)11-17(10-15)14-22)21(30)25-18-3-5-19(6-4-18)31(28,29)26-20-23-7-2-8-24-20/h2-8,15-17H,9-14H2,1H3,(H,25,30)(H,23,24,26)