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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]thioxanthen-9-one Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H22N2O5S/c1-32-21-8-4-3-7-20(21)26-12-14-27(15-13-26)25(29)17-10-11-19-23(16-17)33(30,31)22-9-5-2-6-18(22)24(19)28/h2-11,16H,12-15H2,1H3