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

Systemtic Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C22H20N4O3S/c1-24-13-16(21(28)29)20(27)15-7-6-14(12-18(15)24)25-8-10-26(11-9-25)22-23-17-4-2-3-5-19(17)30-22/h2-7,12-13H,8-11H2,1H3,(H,28,29)