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

Systemtic Name: 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC5=CC=CC=C5S4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC5=CC=CC=C5S4)N)C(=O)O

InChI

InChI=1S/C22H21N5O3S/c1-25-12-14(21(29)30)20(28)13-10-15(23)18(11-17(13)25)26-6-8-27(9-7-26)22-24-16-4-2-3-5-19(16)31-22/h2-5,10-12H,6-9,23H2,1H3,(H,29,30)