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

Systemtic Name: N-[[4-[2-(1-adamantylsulfanyl)ethanoyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[2-(1-adamantylsulfanyl)acetyl]phenyl]methyl]acetamide CAS Name: N-[[4-[2-(1-adamantylthio)-1-oxoethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[2-(1-adamantylsulfanyl)acetyl]phenyl]methyl]acetamide Traditional Name: N-[4-[2-(1-adamantylthio)acetyl]benzyl]acetamide Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO2S/c1-14(23)22-12-15-2-4-19(5-3-15)20(24)13-25-21-9-16-6-17(10-21)8-18(7-16)11-21/h2-5,16-18H,6-13H2,1H3,(H,22,23)