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

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-10,10-dioxothioxanthen-9-one Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]-10,10-diketo-thioxanthen-9-one Formula: C27H24N2O5S MolecularWeight: 488.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C27H24N2O5S/c30-26-21-3-1-2-4-24(21)35(32,33)25-16-20(6-7-22(25)26)27(31)29-12-10-28(11-13-29)17-18-5-8-23-19(15-18)9-14-34-23/h1-8,15-16H,9-14,17H2