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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-oxidanyl-4-oxidanylidene-1-pentyl-quinoline-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-pentyl-quinoline-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-pentyl-3-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-pentylquinoline-3-carboxamide Traditional Name: 1-amyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-keto-quinoline-3-carboxamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O3S/c1-2-3-6-11-26-16-8-5-4-7-14(16)19(27)18(21(26)29)20(28)25-22-24-15-10-9-13(23)12-17(15)30-22/h4-5,7-10,12,29H,2-3,6,11H2,1H3,(H,24,25,28)