[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 4-ethylpiperazine-1-carbodithioate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 4-ethylpiperazine-1-carbodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 4-ethylpiperazine-1-carbodithioate CAS Name: 4-ethyl-1-piperazinecarbodithioic 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] 4-ethylpiperazine-1-carbodithioate Traditional Name: 4-ethylpiperazine-1-carbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCN1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C23H27N3OS2/c1-2-24-13-15-25(16-14-24)23(28)29-17-22(27)26-20-9-5-3-7-18(20)11-12-19-8-4-6-10-21(19)26/h3-10H,2,11-17H2,1H3