3-(4-ethanoylpiperazin-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)carbonyl-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(4-acetylpiperazine-1-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[(4-acetyl-1-piperazinyl)-oxomethyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(4-acetylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(4-acetylpiperazine-1-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H18N2O5S/c1-13(23)21-8-10-22(11-9-21)20(25)14-6-7-16-18(12-14)28(26,27)17-5-3-2-4-15(17)19(16)24/h2-7,12H,8-11H2,1H3