1-(2-ethyl-6-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C20H21N5O2S2/c1-3-15-7-4-6-14(2)18(15)24-20(28)23-16-8-10-17(11-9-16)29(26,27)25-19-21-12-5-13-22-19/h4-13H,3H2,1-2H3,(H,21,22,25)(H2,23,24,28)