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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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