2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-chloranyl-2-fluoranyl-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-chloranyl-2-fluoranyl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3-chloro-2-fluoro-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3-chloro-2-fluorophenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3-chloro-2-fluorophenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(3-chloro-2-fluoro-phenyl)benzamide Formula: C25H26ClFN2O2S MolecularWeight: 473.002543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClFN2O2S/c26-19-5-3-6-20(23(19)27)28-24(31)18-4-1-2-7-21(18)32-14-22(30)29-25-11-15-8-16(12-25)10-17(9-15)13-25/h1-7,15-17H,8-14H2,(H,28,31)(H,29,30)