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

Systemtic Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[4-(2-pyrimidinylsulfamoyl)phenyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-(4-sulfamoylphenyl)thiourea Formula: C17H16N6O4S3 MolecularWeight: 464.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H16N6O4S3/c18-29(24,25)14-6-2-12(3-7-14)21-17(28)22-13-4-8-15(9-5-13)30(26,27)23-16-19-10-1-11-20-16/h1-11H,(H2,18,24,25)(H,19,20,23)(H2,21,22,28)