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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C26H31NO3S/c1-29-23-8-7-22(12-24(23)30-2)31-16-25(28)27-21-5-3-20(4-6-21)26-13-17-9-18(14-26)11-19(10-17)15-26/h3-8,12,17-19H,9-11,13-16H2,1-2H3,(H,27,28)