N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

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