2-[2-(1,3-benzothiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)piperazino]quinoline-3-carboxylic acid Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C21H18N4O2S/c26-21(27)14-11-13-5-1-2-6-15(13)23-19(14)25-10-9-22-12-17(25)20-24-16-7-3-4-8-18(16)28-20/h1-8,11,17,22H,9-10,12H2,(H,26,27)