[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] azepane-1-carbodithioate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] azepane-1-carbodithioate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C24H28N2OS2 MolecularWeight: 424.62192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

C1CCCN(CC1)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C24H28N2OS2/c27-23(15-18-29-24(28)25-16-7-1-2-8-17-25)26-21-11-5-3-9-19(21)13-14-20-10-4-6-12-22(20)26/h3-6,9-12H,1-2,7-8,13-18H2