[10,10-bis(oxidanylidene)-9-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-phenoxathiin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [10,10-bis(oxidanylidene)-9-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-phenoxathiin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: [10,10-dioxo-9-[4-(4-pyridyl)piperazine-1-carbonyl]phenoxathiin-1-yl]-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: [10,10-dioxo-9-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-1-phenoxathiinyl]-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: [10,10-dioxo-9-(4-pyridin-4-ylpiperazine-1-carbonyl)phenoxathiin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: [10,10-diketo-9-[4-(4-pyridyl)piperazine-1-carbonyl]phenoxathiin-1-yl]-[4-(4-pyridyl)piperazino]methanone Formula: C32H30N6O5S MolecularWeight: 610.6828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)N6CCN(CC6)C7=CC=NC=C7

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)N6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C32H30N6O5S/c39-31(37-19-15-35(16-20-37)23-7-11-33-12-8-23)25-3-1-5-27-29(25)44(41,42)30-26(4-2-6-28(30)43-27)32(40)38-21-17-36(18-22-38)24-9-13-34-14-10-24/h1-14H,15-22H2