1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C22H25N5O3S2/c1-22(2,3)15-6-11-19(30-4)18(14-15)26-21(31)25-16-7-9-17(10-8-16)32(28,29)27-20-23-12-5-13-24-20/h5-14H,1-4H3,(H,23,24,27)(H2,25,26,31)