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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one hydrochloride Openeye Name: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one hydrochloride CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone hydrochloride IUPAC Name: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one hydrochloride Traditional Name: 10,10-diketo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]thioxanthen-9-one hydrochloride Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S.ClH/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;1H