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

Systemtic Name: 6-azanyl-1-methyl-4-oxidanylidene-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-thiazolyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-(4-thiazol-2-ylpiperazino)quinoline-3-carboxylic acid Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CS4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=NC=CS4)N)C(=O)O

InChI

InChI=1S/C18H19N5O3S/c1-21-10-12(17(25)26)16(24)11-8-13(19)15(9-14(11)21)22-3-5-23(6-4-22)18-20-2-7-27-18/h2,7-10H,3-6,19H2,1H3,(H,25,26)