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

Systemtic Name: 2-(1-adamantyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C24H30F3N3OS MolecularWeight: 465.57471

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30F3N3OS/c25-24(26,27)18-3-4-20(30-5-1-2-6-30)19(10-18)28-22(32)29-21(31)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h3-4,10,15-17H,1-2,5-9,11-14H2,(H2,28,29,31,32)