N-(1-adamantyl)-4-oxidanylidene-1-pentyl-7-phenylsulfanyl-quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-4-oxidanylidene-1-pentyl-7-phenylsulfanyl-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-4-oxo-1-pentyl-7-phenylsulfanyl-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-4-oxo-1-pentyl-7-(phenylthio)-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-1-amyl-4-keto-7-(phenylthio)quinoline-3-carboxamide Formula: C31H36N2O2S MolecularWeight: 500.69474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=C1C=C(C=C2)SC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=C1C=C(C=C2)SC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)