2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C21H22F6N2OS MolecularWeight: 464.467599

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H22F6N2OS/c22-20(23,24)14-4-15(21(25,26)27)6-16(5-14)28-18(31)29-17(30)10-19-7-11-1-12(8-19)3-13(2-11)9-19/h4-6,11-13H,1-3,7-10H2,(H2,28,29,30,31)