4-(2-adamantyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C25H32N6O2S2 MolecularWeight: 512.69058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6

InChI

InChI=1S/C25H32N6O2S2/c32-35(33,29-24-26-6-1-7-27-24)22-4-2-21(3-5-22)28-25(34)31-10-8-30(9-11-31)23-19-13-17-12-18(15-19)16-20(23)14-17/h1-7,17-20,23H,8-16H2,(H,28,34)(H,26,27,29)