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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C22H27N5O2S2/c28-31(29,27-20-23-6-1-7-24-20)19-4-2-18(3-5-19)26-21(30)25-14-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,15-17H,8-14H2,(H,23,24,27)(H2,25,26,30)