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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-butyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-oxo-quinoline-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-butyl-2-hydroxy-4-keto-quinoline-3-carboxamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-2-3-10-25-15-7-5-4-6-13(15)18(26)17(20(25)28)19(27)24-21-23-14-9-8-12(22)11-16(14)29-21/h4-9,11,28H,2-3,10H2,1H3,(H,23,24,27)