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

Systemtic Name: 1-decyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-decyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-decyl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-decyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-decyl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H31N5O2S2 MolecularWeight: 449.63314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S2/c1-2-3-4-5-6-7-8-9-15-24-21(29)25-18-11-13-19(14-12-18)30(27,28)26-20-22-16-10-17-23-20/h10-14,16-17H,2-9,15H2,1H3,(H,22,23,26)(H2,24,25,29)