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

Systemtic Name: 1-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-butyl-2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-butyl-2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-butyl-2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-butyl-2-hydroxy-4-keto-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-3-4-11-25-16-8-6-5-7-14(16)19(26)18(21(25)28)20(27)24-22-23-15-10-9-13(2)12-17(15)29-22/h5-10,12,28H,3-4,11H2,1-2H3,(H,23,24,27)