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

Systemtic Name: 4-(2-adamantyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H28F3N3S MolecularWeight: 423.53803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C22H28F3N3S/c23-22(24,25)18-3-1-2-4-19(18)26-21(29)28-7-5-27(6-8-28)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2,(H,26,29)