ethyl 4-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(4-fluorophenyl)sulfanylquinolin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(4-fluorophenyl)thio]-4-quinolinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-fluorophenyl)thio]quinoline-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H24FN3O3S MolecularWeight: 453.529063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3S/c1-2-31-24(30)28-13-11-17(12-14-28)26-23(29)20-15-22(27-21-6-4-3-5-19(20)21)32-18-9-7-16(25)8-10-18/h3-10,15,17H,2,11-14H2,1H3,(H,26,29)