2-[2-(1-adamantylsulfanyl)ethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(1-adamantylsulfanyl)ethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1-adamantylthio)-1-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(1-adamantylthio)acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C21H27FN2O2S MolecularWeight: 390.514683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27FN2O2S/c1-24(12-19(25)23-18-4-2-17(22)3-5-18)20(26)13-27-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,25)