2-(3-bromanyl-1-adamantyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C21H28BrNOS MolecularWeight: 422.42212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H28BrNOS/c1-23(13-15-3-5-18(25-2)6-4-15)19(24)12-20-8-16-7-17(9-20)11-21(22,10-16)14-20/h3-6,16-17H,7-14H2,1-2H3