2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-acetamide CAS Name: 2-(1-adamantylthio)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide Traditional Name: 2-(1-adamantylthio)-N-ethyl-N-veratryl-acetamide Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H33NO3S/c1-4-24(14-16-5-6-20(26-2)21(10-16)27-3)22(25)15-28-23-11-17-7-18(12-23)9-19(8-17)13-23/h5-6,10,17-19H,4,7-9,11-15H2,1-3H3