1-[4-(2-methylbutan-2-yl)cyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[4-(2-methylbutan-2-yl)cyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(1,1-dimethylpropyl)cyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[4-(2-methylbutan-2-yl)cyclohexyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[4-(2-methylbutan-2-yl)cyclohexyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-tert-amylcyclohexyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C22H31N5O2S2 MolecularWeight: 461.64384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C22H31N5O2S2/c1-4-22(2,3)16-6-8-17(9-7-16)25-21(30)26-18-10-12-19(13-11-18)31(28,29)27-20-23-14-5-15-24-20/h5,10-17H,4,6-9H2,1-3H3,(H,23,24,27)(H2,25,26,30)