1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(3,4-dimethoxyphenyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C16H23NO3S/c1-19-14-8-7-13(11-15(14)20-2)21-12-16(18)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3