1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2O2S/c1-17-11-18(2)15-27(14-17)25(28)16-30-24-13-22(19-7-5-4-6-8-19)21-10-9-20(29-3)12-23(21)26-24/h4-10,12-13,17-18H,11,14-16H2,1-3H3/t17-,18-/m1/s1