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

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-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-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C27H27N3OS2 MolecularWeight: 473.65278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC(=S)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC(=S)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3OS2/c31-26(20-33-27(32)29-18-16-28(17-19-29)23-10-2-1-3-11-23)30-24-12-6-4-8-21(24)14-15-22-9-5-7-13-25(22)30/h1-13H,14-20H2