[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic 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] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C26H24N2OS2 MolecularWeight: 444.61156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC(=S)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC(=S)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H24N2OS2/c29-25(18-31-26(30)27-16-15-19-7-1-2-10-22(19)17-27)28-23-11-5-3-8-20(23)13-14-21-9-4-6-12-24(21)28/h1-12H,13-18H2