2-(1-adamantyl)-N-[[2-chloranyl-4-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-chloranyl-4-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-chloro-4-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-chloro-4-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C20H22ClF3N2OS MolecularWeight: 430.91469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClF3N2OS/c21-15-6-14(20(22,23)24)1-2-16(15)25-18(28)26-17(27)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,25,26,27,28)