2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[1-(2-fluorophenyl)ethyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[1-(2-fluorophenyl)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[1-(2-fluorophenyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[1-(2-fluorophenyl)ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[1-(2-fluorophenyl)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[1-(2-fluorophenyl)ethyl]benzamide Formula: C27H31FN2O2S MolecularWeight: 466.610643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1F)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=CC=CC=C1F)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31FN2O2S/c1-17(21-6-2-4-8-23(21)28)29-26(32)22-7-3-5-9-24(22)33-16-25(31)30-27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,17-20H,10-16H2,1H3,(H,29,32)(H,30,31)