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

Systemtic Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(1-adamantylsulfamoyl)phenyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C27H30N6O4S3 MolecularWeight: 598.7599

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

InChI

InChI=1S/C27H30N6O4S3/c34-39(35,32-25-28-10-1-11-29-25)23-6-2-21(3-7-23)30-26(38)31-22-4-8-24(9-5-22)40(36,37)33-27-15-18-12-19(16-27)14-20(13-18)17-27/h1-11,18-20,33H,12-17H2,(H,28,29,32)(H2,30,31,38)