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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4S3/c24-29(25,22-16-18-11-4-12-19-16)15-9-7-13(8-10-15)20-17(28)21-23-30(26,27)14-5-2-1-3-6-14/h1-12,23H,(H,18,19,22)(H2,20,21,28)