1-(2-fluoranyl-5-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-fluoranyl-5-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-fluoro-5-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-fluoro-5-methylphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-fluoro-5-methylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-fluoro-5-methyl-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H16FN5O2S2 MolecularWeight: 417.480343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H16FN5O2S2/c1-12-3-8-15(19)16(11-12)23-18(27)22-13-4-6-14(7-5-13)28(25,26)24-17-20-9-2-10-21-17/h2-11H,1H3,(H,20,21,24)(H2,22,23,27)