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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S2/c1-3-5-7-16-26(17-8-6-4-2)21(29)24-18-10-12-19(13-11-18)30(27,28)25-20-22-14-9-15-23-20/h9-15H,3-8,16-17H2,1-2H3,(H,24,29)(H,22,23,25)