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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-nonyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-nonyl-4-oxo-quinoline-3-carboxamide CAS Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-nonyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-1-nonyl-4-oxoquinoline-3-carboxamide Traditional Name: 2-hydroxy-4-keto-N-(6-methyl-1,3-benzothiazol-2-yl)-1-nonyl-quinoline-3-carboxamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-3-4-5-6-7-8-11-16-30-21-13-10-9-12-19(21)24(31)23(26(30)33)25(32)29-27-28-20-15-14-18(2)17-22(20)34-27/h9-10,12-15,17,33H,3-8,11,16H2,1-2H3,(H,28,29,32)