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

Systemtic Name: 1-(2-methylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,1-dimethylpropyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-methylbutan-2-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-methylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-tert-amyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H21N5O2S2 MolecularWeight: 379.50024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

InChI

InChI=1S/C16H21N5O2S2/c1-4-16(2,3)20-15(24)19-12-6-8-13(9-7-12)25(22,23)21-14-17-10-5-11-18-14/h5-11H,4H2,1-3H3,(H,17,18,21)(H2,19,20,24)