1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H25N7O2S2 MolecularWeight: 459.5882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H25N7O2S2/c1-20(2,3)17(14-27-13-5-12-23-27)25-19(30)24-15-6-8-16(9-7-15)31(28,29)26-18-21-10-4-11-22-18/h4-13,17H,14H2,1-3H3,(H,21,22,26)(H2,24,25,30)