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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-octyl-4-oxo-quinoline-3-carboxamide CAS Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-octyl-4-oxoquinoline-3-carboxamide Traditional Name: 2-hydroxy-4-keto-N-(6-methyl-1,3-benzothiazol-2-yl)-1-octyl-quinoline-3-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C26H29N3O3S/c1-3-4-5-6-7-10-15-29-20-12-9-8-11-18(20)23(30)22(25(29)32)24(31)28-26-27-19-14-13-17(2)16-21(19)33-26/h8-9,11-14,16,32H,3-7,10,15H2,1-2H3,(H,27,28,31)