7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide Openeye Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-thiazol-2-yl-quinoline-3-carboxamide CAS Name: 7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-N-(2-thiazolyl)-3-quinolinecarboxamide IUPAC Name: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide Traditional Name: 7-(4-acetylpiperazino)-1-ethyl-6-fluoro-4-keto-N-thiazol-2-yl-quinoline-3-carboxamide Formula: C21H22FN5O3S MolecularWeight: 443.494483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=NC=CS4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H22FN5O3S/c1-3-25-12-15(20(30)24-21-23-4-9-31-21)19(29)14-10-16(22)18(11-17(14)25)27-7-5-26(6-8-27)13(2)28/h4,9-12H,3,5-8H2,1-2H3,(H,23,24,30)