3-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[5,6-dihydrobenzo[b][1]benzazepin-11-yl(oxo)methyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C28H19NO4S MolecularWeight: 465.51976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C28H19NO4S/c30-27-21-9-3-6-12-25(21)34(32,33)26-17-20(15-16-22(26)27)28(31)29-23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)29/h1-12,15-17H,13-14H2