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

Systemtic Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,2,2-trimethylpropyl)thiourea CAS Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3,3-dimethylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-(1,2,2-trimethylpropyl)thiourea Formula: C17H23N5O2S2 MolecularWeight: 393.52682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S2/c1-12(17(2,3)4)20-16(25)21-13-6-8-14(9-7-13)26(23,24)22-15-18-10-5-11-19-15/h5-12H,1-4H3,(H,18,19,22)(H2,20,21,25)