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

Systemtic Name: 1-[(4-nitrophenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(4-nitrophenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(4-nitrophenyl)sulfonylamino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(4-nitrophenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(nosylamino)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C17H15N7O6S3 MolecularWeight: 509.5393

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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)NNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O6S3/c25-24(26)13-4-8-15(9-5-13)33(29,30)23-21-17(31)20-12-2-6-14(7-3-12)32(27,28)22-16-18-10-1-11-19-16/h1-11,23H,(H,18,19,22)(H2,20,21,31)