2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone Formula: C25H27N5OS MolecularWeight: 445.57978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CN3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CN3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5OS/c1-18-15-20(19(2)30(18)24-9-5-6-10-26-24)22(31)16-28-11-13-29(14-12-28)17-25-27-21-7-3-4-8-23(21)32-25/h3-10,15H,11-14,16-17H2,1-2H3