ethyl 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(4-piperazin-1-yl-2-pyridyl)quinoline-3-carboxylate CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-oxo-1-[4-(1-piperazinyl)-2-pyridinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(4-piperazin-1-ylpyridin-2-yl)quinoline-3-carboxylate Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-(4-piperazino-2-pyridyl)quinoline-3-carboxylic acid ethyl ester Formula: C32H34N8O3S MolecularWeight: 610.72916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6=NC=CC(=C6)N7CCNCC7

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6=NC=CC(=C6)N7CCNCC7

InChI

InChI=1S/C32H34N8O3S/c1-2-43-31(42)23-20-40(29-17-21(7-8-35-29)37-11-9-34-10-12-37)26-19-27(24(33)18-22(26)30(23)41)38-13-15-39(16-14-38)32-36-25-5-3-4-6-28(25)44-32/h3-8,17-20,34H,2,9-16,33H2,1H3