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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-oxidanyl-4-oxidanylidene-1-propyl-quinoline-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-propyl-quinoline-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-propyl-3-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-oxo-1-propylquinoline-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxy-4-keto-1-propyl-quinoline-3-carboxamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-2-9-24-14-6-4-3-5-12(14)17(25)16(19(24)27)18(26)23-20-22-13-8-7-11(21)10-15(13)28-20/h3-8,10,27H,2,9H2,1H3,(H,22,23,26)