1-(azepan-1-yl)-2-quinolin-8-ylsulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-quinolin-8-ylsulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(8-quinolylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(8-quinolinylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-quinolin-8-ylsulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(8-quinolylthio)ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H20N2OS/c20-16(19-11-3-1-2-4-12-19)13-21-15-9-5-7-14-8-6-10-18-17(14)15/h5-10H,1-4,11-13H2