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

Systemtic Name: 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C30H30N8O3S MolecularWeight: 582.676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=NC7=CC=CC=C7S6)N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=NC7=CC=CC=C7S6)N)C(=O)O

InChI

InChI=1S/C30H30N8O3S/c31-22-17-20-24(18-25(22)34-9-11-36(12-10-34)30-33-23-5-1-2-6-26(23)42-30)38(19-21(28(20)39)29(40)41)37-15-13-35(14-16-37)27-7-3-4-8-32-27/h1-8,17-19H,9-16,31H2,(H,40,41)