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

Systemtic Name: 1-heptan-2-yl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-methylhexyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-heptan-2-yl-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-heptan-2-yl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-methylhexyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S2/c1-3-4-5-7-14(2)21-18(26)22-15-8-10-16(11-9-15)27(24,25)23-17-19-12-6-13-20-17/h6,8-14H,3-5,7H2,1-2H3,(H,19,20,23)(H2,21,22,26)