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

Systemtic Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[4-(2-pyrimidinylsulfamoyl)phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C21H22N6O4S3 MolecularWeight: 518.63218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H22N6O4S3/c28-33(29,26-20-22-12-3-13-23-20)18-8-4-16(5-9-18)24-21(32)25-17-6-10-19(11-7-17)34(30,31)27-14-1-2-15-27/h3-13H,1-2,14-15H2,(H,22,23,26)(H2,24,25,32)