2-(1-adamantyl)-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C25H32F3N3OS MolecularWeight: 479.60129

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32F3N3OS/c26-25(27,28)19-4-5-21(31-6-2-1-3-7-31)20(11-19)29-23(33)30-22(32)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h4-5,11,16-18H,1-3,6-10,12-15H2,(H2,29,30,32,33)