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

Systemtic Name: 1-(2-ethylhexyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(2-ethylhexyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(2-ethylhexyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(2-ethylhexyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(2-ethylhexyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2

InChI

InChI=1S/C19H27N5O2S2/c1-3-5-7-15(4-2)14-22-19(27)23-16-8-10-17(11-9-16)28(25,26)24-18-20-12-6-13-21-18/h6,8-13,15H,3-5,7,14H2,1-2H3,(H,20,21,24)(H2,22,23,27)