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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-fluoranyl-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-chloro-2-fluoro-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-chloro-2-fluorophenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-chloro-2-fluorophenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-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=C(C=C5)Cl)F

Isomeric SMILES

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

InChI

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