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

Systemtic Name: 1-[(4-tert-butylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)sulfonylamino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)sulfonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(4-tert-butylphenyl)sulfonylamino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H24N6O4S3 MolecularWeight: 520.64806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)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/C21H24N6O4S3/c1-21(2,3)15-5-9-18(10-6-15)34(30,31)27-25-20(32)24-16-7-11-17(12-8-16)33(28,29)26-19-22-13-4-14-23-19/h4-14,27H,1-3H3,(H,22,23,26)(H2,24,25,32)