10,10-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)thioxanthen-9-one Openeye Name: 10,10-dioxo-3-[4-(2-pyridyl)piperazin-1-yl]thioxanthen-9-one CAS Name: 10,10-dioxo-3-[4-(2-pyridinyl)-1-piperazinyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-(4-pyridin-2-ylpiperazin-1-yl)thioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(2-pyridyl)piperazino]thioxanthen-9-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=N5

InChI

InChI=1S/C22H19N3O3S/c26-22-17-5-1-2-6-19(17)29(27,28)20-15-16(8-9-18(20)22)24-11-13-25(14-12-24)21-7-3-4-10-23-21/h1-10,15H,11-14H2