N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC(C)C34CC5CC(C3)CC(C5)C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4)C)C

InChI

InChI=1S/C26H34N2OS/c1-15-5-17(3)25-22(6-15)16(2)7-24(28-25)30-14-23(29)27-18(4)26-11-19-8-20(12-26)10-21(9-19)13-26/h5-7,18-21H,8-14H2,1-4H3,(H,27,29)/t18-,19?,20?,21?,26?/m1/s1