N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C23H29N3OS/c1-14-2-3-20-18(4-14)8-19(12-24)22(25-20)28-13-21(27)26-23-9-15-5-16(10-23)7-17(6-15)11-23/h8,14-17H,2-7,9-11,13H2,1H3,(H,26,27)