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

Systemtic Name: 1-(2-adamantyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-adamantyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-adamantyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-adamantyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-adamantyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C21H25N5O2S2/c27-30(28,26-20-22-6-1-7-23-20)18-4-2-17(3-5-18)24-21(29)25-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-7,13-16,19H,8-12H2,(H,22,23,26)(H2,24,25,29)