6-azanyl-1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-1-(1,3-benzothiazol-2-yl)-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=NC6=CC=CC=C6S5)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=NC6=CC=CC=C6S5)N

InChI

InChI=1S/C26H22N6O3S/c27-18-13-16-20(14-21(18)30-9-11-31(12-10-30)23-7-3-4-8-28-23)32(15-17(24(16)33)25(34)35)26-29-19-5-1-2-6-22(19)36-26/h1-8,13-15H,9-12,27H2,(H,34,35)