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

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

Systemtic Name:2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamide
Openeye Name:2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CAS Name:2-(1-adamantylthio)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
IUPAC Name:2-(1-adamantylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Traditional Name:2-(1-adamantylthio)-N-veratryl-acetamide
Formula: C21H29NO3S
MolecularWeight: 375.52486
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29NO3S/c1-24-18-4-3-14(8-19(18)25-2)12-22-20(23)13-26-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,22,23)


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