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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-nonyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-nonyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-nonyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-1-nonyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-4-keto-1-nonyl-quinoline-3-carboxamide Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-2-3-4-5-6-7-10-15-30-20-12-9-8-11-18(20)23(31)22(25(30)33)24(32)29-26-28-19-14-13-17(27)16-21(19)34-26/h8-9,11-14,16,33H,2-7,10,15H2,1H3,(H,28,29,32)