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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-(1-adamantylthio)-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(1-adamantylthio)-N-(3,4-dimethoxyphenyl)acetamide Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-23-17-4-3-16(8-18(17)24-2)21-19(22)12-25-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,22)