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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H20N2OS/c20-17(19-11-5-1-2-6-12-19)13-21-16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-10H,1-2,5-6,11-13H2