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

Systemtic Name: 1-pentan-3-yl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-ethylpropyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-pentan-3-yl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-pentan-3-yl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-ethylpropyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C16H21N5O2S2 MolecularWeight: 379.50024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S2/c1-3-12(4-2)19-16(24)20-13-6-8-14(9-7-13)25(22,23)21-15-17-10-5-11-18-15/h5-12H,3-4H2,1-2H3,(H,17,18,21)(H2,19,20,24)