1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2-quinolylthio)ethanone Formula: C25H20N2OS MolecularWeight: 396.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H20N2OS/c28-25(17-29-24-16-15-18-7-1-4-10-21(18)26-24)27-22-11-5-2-8-19(22)13-14-20-9-3-6-12-23(20)27/h1-12,15-16H,13-14,17H2