1-[(2S)-2-ethylpiperidin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]ethanone Formula: C25H28N2O2S MolecularWeight: 420.56702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-3-19-11-7-8-14-27(19)25(28)17-30-24-16-22(18-9-5-4-6-10-18)21-13-12-20(29-2)15-23(21)26-24/h4-6,9-10,12-13,15-16,19H,3,7-8,11,14,17H2,1-2H3/t19-/m0/s1