1-(2,6-dimethylpiperidin-1-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[(3,6,7-trimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[(3,6,7-trimethyl-2-quinolyl)thio]ethanone Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=CC(=C(C=C3C=C2C)C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NC3=CC(=C(C=C3C=C2C)C)C)C

InChI

InChI=1S/C21H28N2OS/c1-13-9-18-10-15(3)21(22-19(18)11-14(13)2)25-12-20(24)23-16(4)7-6-8-17(23)5/h9-11,16-17H,6-8,12H2,1-5H3