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

Systemtic Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]thiourea CAS Name: 1-[4-(2-pyrimidinylsulfamoyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]thiourea IUPAC Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-(4-sulfamoylbenzyl)thiourea Formula: C18H18N6O4S3 MolecularWeight: 478.56832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=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)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H18N6O4S3/c19-30(25,26)15-6-2-13(3-7-15)12-22-18(29)23-14-4-8-16(9-5-14)31(27,28)24-17-20-10-1-11-21-17/h1-11H,12H2,(H2,19,25,26)(H,20,21,24)(H2,22,23,29)