2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl azepane-1-carbodithioate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl azepane-1-carbodithioate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid 2-phthalimidoethyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=S)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O2S2/c20-15-13-7-3-4-8-14(13)16(21)19(15)11-12-23-17(22)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2