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

Systemtic Name: 1-(3-bromophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H14BrN5O2S2 MolecularWeight: 464.35936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H14BrN5O2S2/c18-12-3-1-4-14(11-12)22-17(26)21-13-5-7-15(8-6-13)27(24,25)23-16-19-9-2-10-20-16/h1-11H,(H,19,20,23)(H2,21,22,26)