1-(azepan-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-o-cumenylimidazol-2-yl)thio]ethanone Formula: C20H27N3OS MolecularWeight: 357.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-16(2)17-9-5-6-10-18(17)23-14-11-21-20(23)25-15-19(24)22-12-7-3-4-8-13-22/h5-6,9-11,14,16H,3-4,7-8,12-13,15H2,1-2H3