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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=NC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=NC7=CC=CC=C7S6)N)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC(=NC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C6=NC7=CC=CC=C7S6)N)C(=O)O

InChI

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