1-(azepan-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]ethanone Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-23-16-8-6-7-15(13-16)21-12-9-19-18(21)24-14-17(22)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11,14H2,1H3