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

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 10,10-diketo-3-(4-o-phenetylpiperazine-1-carbonyl)thioxanthen-9-one Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H24N2O5S/c1-2-33-22-9-5-4-8-21(22)27-13-15-28(16-14-27)26(30)18-11-12-20-24(17-18)34(31,32)23-10-6-3-7-19(23)25(20)29/h3-12,17H,2,13-16H2,1H3