1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(2,4-dimethyl-3-quinolyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-(2,4-dimethyl-3-quinolinyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(2,4-dimethyl-3-quinolyl)ethanone Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4OS/c1-17-19-7-3-4-8-21(19)26-18(2)20(17)15-25(30)29-13-11-28(12-14-29)16-24-27-22-9-5-6-10-23(22)31-24/h3-10H,11-16H2,1-2H3