3-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(5-chloro-2-pyridyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(5-chloropyridin-2-yl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-[4-(5-chloro-2-pyridyl)piperazine-1-carbonyl]-10,10-diketo-thioxanthen-9-one Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H18ClN3O4S/c24-16-6-8-21(25-14-16)26-9-11-27(12-10-26)23(29)15-5-7-18-20(13-15)32(30,31)19-4-2-1-3-17(19)22(18)28/h1-8,13-14H,9-12H2