10,10-bis(oxidanylidene)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-thioxanthen-9-one Openeye Name: 3-(4-benzoylpiperazine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(4-benzoylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-benzoylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H20N2O5S/c28-23-19-8-4-5-9-21(19)33(31,32)22-16-18(10-11-20(22)23)25(30)27-14-12-26(13-15-27)24(29)17-6-2-1-3-7-17/h1-11,16H,12-15H2