N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-hydroxy-1-isopentyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-hydroxy-1-(3-methylbutyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-hydroxy-1-(3-methylbutyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-hydroxy-1-isoamyl-4-keto-quinoline-3-carboxamide Formula: C22H20FN3O3S MolecularWeight: 425.475903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3S/c1-12(2)9-10-26-16-6-4-3-5-14(16)19(27)18(21(26)29)20(28)25-22-24-15-8-7-13(23)11-17(15)30-22/h3-8,11-12,29H,9-10H2,1-2H3,(H,24,25,28)