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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H31NO3S/c1-25-19-4-3-15(10-20(19)26-2)5-6-23-21(24)14-27-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-4,10,16-18H,5-9,11-14H2,1-2H3,(H,23,24)