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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-octyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-4-keto-1-octyl-quinoline-3-carboxamide Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O3S/c1-2-3-4-5-6-9-14-29-19-11-8-7-10-17(19)22(30)21(24(29)32)23(31)28-25-27-18-13-12-16(26)15-20(18)33-25/h7-8,10-13,15,32H,2-6,9,14H2,1H3,(H,27,28,31)