1-[3-oxidanyl-4-[3-(4-thieno[2,3-b]pyridin-3-ylpiperazin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-oxidanyl-4-[3-(4-thieno[2,3-b]pyridin-3-ylpiperazin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[3-hydroxy-4-[3-(4-thieno[2,3-b]pyridin-3-ylpiperazin-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[3-hydroxy-4-[3-[4-(3-thieno[2,3-b]pyridinyl)-1-piperazinyl]propoxy]phenyl]ethanone IUPAC Name: 1-[3-hydroxy-4-[3-(4-thieno[2,3-b]pyridin-3-ylpiperazin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[3-hydroxy-4-[3-(4-thieno[2,3-b]pyridin-3-ylpiperazino)propoxy]phenyl]ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CSC4=C3C=CC=N4)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CSC4=C3C=CC=N4)O

InChI

InChI=1S/C22H25N3O3S/c1-16(26)17-5-6-21(20(27)14-17)28-13-3-8-24-9-11-25(12-10-24)19-15-29-22-18(19)4-2-7-23-22/h2,4-7,14-15,27H,3,8-13H2,1H3