N-(6-acetamidoquinolin-5-yl)-2-hexylsulfanyl-decanamide

Systemtic Name: N-(6-acetamidoquinolin-5-yl)-2-hexylsulfanyl-decanamide Openeye Name: N-(6-acetamido-5-quinolyl)-2-hexylsulfanyl-decanamide CAS Name: N-(6-acetamido-5-quinolinyl)-2-(hexylthio)decanamide IUPAC Name: N-(6-acetamidoquinolin-5-yl)-2-hexylsulfanyldecanamide Traditional Name: N-(6-acetamido-5-quinolyl)-2-(hexylthio)capramide Formula: C27H41N3O2S MolecularWeight: 471.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)NC(=O)C)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)NC(=O)C)SCCCCCC

InChI

InChI=1S/C27H41N3O2S/c1-4-6-8-10-11-12-16-25(33-20-13-9-7-5-2)27(32)30-26-22-15-14-19-28-23(22)17-18-24(26)29-21(3)31/h14-15,17-19,25H,4-13,16,20H2,1-3H3,(H,29,31)(H,30,32)