[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] azepane-1-carbodithioate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] azepane-1-carbodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C23H26N2OS2 MolecularWeight: 410.59534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS2/c26-22(17-28-23(27)24-15-7-1-2-8-16-24)25-20-11-5-3-9-18(20)13-14-19-10-4-6-12-21(19)25/h3-6,9-12H,1-2,7-8,13-17H2