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

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic 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-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C22H25N3OS2/c1-23-12-14-24(15-13-23)22(27)28-16-21(26)25-19-8-4-2-6-17(19)10-11-18-7-3-5-9-20(18)25/h2-9H,10-16H2,1H3/p+1