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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluoranyl-2-methyl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-fluoro-2-methyl-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-fluoro-2-methylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-fluoro-2-methylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-fluoro-2-methyl-phenyl)benzamide Formula: C26H29FN2O2S MolecularWeight: 452.584063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29FN2O2S/c1-16-8-20(27)6-7-22(16)28-25(31)21-4-2-3-5-23(21)32-15-24(30)29-26-12-17-9-18(13-26)11-19(10-17)14-26/h2-8,17-19H,9-15H2,1H3,(H,28,31)(H,29,30)