2-(3-oxidanylidene-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate

Systemtic Name: 2-(3-oxidanylidene-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate Openeye Name: 2-(1-oxoisoindolin-2-yl)ethyl azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid 2-(3-oxo-1H-isoindol-2-yl)ethyl ester IUPAC Name: 2-(3-oxo-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid 2-(1-ketoisoindolin-2-yl)ethyl ester Formula: C17H22N2OS2 MolecularWeight: 334.49938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SCCN2CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=S)SCCN2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2