2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C26H27F3N2O2S MolecularWeight: 488.56499

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C26H27F3N2O2S/c27-26(28,29)19-5-7-20(8-6-19)30-24(33)21-3-1-2-4-22(21)34-15-23(32)31-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18H,9-15H2,(H,30,33)(H,31,32)