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

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C27H26N2OS2 MolecularWeight: 458.63814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2OS2/c30-26(16-18-32-27(31)28-17-15-20-7-1-2-10-23(20)19-28)29-24-11-5-3-8-21(24)13-14-22-9-4-6-12-25(22)29/h1-12H,13-19H2