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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-(1-adamantylthio)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-(1-adamantylthio)-N-methyl-N-veratryl-acetamide Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S/c1-23(13-15-4-5-19(25-2)20(9-15)26-3)21(24)14-27-22-10-16-6-17(11-22)8-18(7-16)12-22/h4-5,9,16-18H,6-8,10-14H2,1-3H3