10,10-bis(oxidanylidene)-N1,N9-bis(4-pyridin-4-ylpiperazin-1-yl)phenoxathiine-1,9-dicarboxamide

Systemtic Name: 10,10-bis(oxidanylidene)-N1,N9-bis(4-pyridin-4-ylpiperazin-1-yl)phenoxathiine-1,9-dicarboxamide Openeye Name: 10,10-dioxo-N1,N9-bis[4-(4-pyridyl)piperazin-1-yl]phenoxathiine-1,9-dicarboxamide CAS Name: 10,10-dioxo-N1,N9-bis(4-pyridin-4-yl-1-piperazinyl)phenoxathiine-1,9-dicarboxamide IUPAC Name: 10,10-dioxo-1-N,9-N-bis(4-pyridin-4-ylpiperazin-1-yl)phenoxathiine-1,9-dicarboxamide Traditional Name: 10,10-diketo-N,N'-bis[4-(4-pyridyl)piperazino]phenoxathiine-1,9-dicarboxamide Formula: C32H32N8O5S MolecularWeight: 640.71208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)NC(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)NN6CCN(CC6)C7=CC=NC=C7

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)NC(=O)C3=C4C(=CC=C3)OC5=CC=CC(=C5S4(=O)=O)C(=O)NN6CCN(CC6)C7=CC=NC=C7

InChI

InChI=1S/C32H32N8O5S/c41-31(35-39-19-15-37(16-20-39)23-7-11-33-12-8-23)25-3-1-5-27-29(25)46(43,44)30-26(4-2-6-28(30)45-27)32(42)36-40-21-17-38(18-22-40)24-9-13-34-14-10-24/h1-14H,15-22H2,(H,35,41)(H,36,42)