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

Systemtic Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-(2-pyrimidinylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]thiourea Formula: C18H14F3N5O2S2 MolecularWeight: 453.46127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O2S2/c19-18(20,21)12-2-4-13(5-3-12)24-17(29)25-14-6-8-15(9-7-14)30(27,28)26-16-22-10-1-11-23-16/h1-11H,(H,22,23,26)(H2,24,25,29)