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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-2-3-4-5-6-7-13-22-19(27)23-16-9-11-17(12-10-16)28(25,26)24-18-20-14-8-15-21-18/h8-12,14-15H,2-7,13H2,1H3,(H,20,21,24)(H2,22,23,27)