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

Systemtic Name: 10,10-bis(oxidanylidene)-3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)carbonyl-thioxanthen-9-one Openeye Name: 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]methyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H26N2O5S/c28-23-19-6-2-3-7-21(19)33(31,32)22-16-18(8-9-20(22)23)25(30)27-14-10-17(11-15-27)24(29)26-12-4-1-5-13-26/h2-3,6-9,16-17H,1,4-5,10-15H2