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

Systemtic Name: 1-hexyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-hexyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-hexyl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-hexyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-hexyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S2/c1-2-3-4-5-11-20-17(25)21-14-7-9-15(10-8-14)26(23,24)22-16-18-12-6-13-19-16/h6-10,12-13H,2-5,11H2,1H3,(H,18,19,22)(H2,20,21,25)