1-(azepan-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H19N3OS/c20-15(19-9-5-1-2-6-10-19)11-21-16-13-7-3-4-8-14(13)17-12-18-16/h3-4,7-8,12H,1-2,5-6,9-11H2