2-(1-adamantylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31NO4S/c1-25-18-7-17(8-19(26-2)21(18)27-3)12-23-20(24)13-28-22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,23,24)