N-(1-adamantyl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(2,3,5,6-tetramethylphenyl)thio]acetamide Formula: C22H31NOS MolecularWeight: 357.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C22H31NOS/c1-13-5-14(2)16(4)21(15(13)3)25-12-20(24)23-22-9-17-6-18(10-22)8-19(7-17)11-22/h5,17-19H,6-12H2,1-4H3,(H,23,24)