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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10,10-diketo-thioxanthen-9-one Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C

InChI

InChI=1S/C26H24N2O4S/c1-17-6-5-8-22(18(17)2)27-12-14-28(15-13-27)26(30)19-10-11-21-24(16-19)33(31,32)23-9-4-3-7-20(23)25(21)29/h3-11,16H,12-15H2,1-2H3