N-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)-2-hexylsulfanyl-decanamide

Systemtic Name: N-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)-2-hexylsulfanyl-decanamide Openeye Name: N-(8-acetamido-6-methylsulfanyl-5-quinolyl)-2-hexylsulfanyl-decanamide CAS Name: N-[8-acetamido-6-(methylthio)-5-quinolinyl]-2-(hexylthio)decanamide IUPAC Name: N-(8-acetamido-6-methylsulfanylquinolin-5-yl)-2-hexylsulfanyldecanamide Traditional Name: N-[8-acetamido-6-(methylthio)-5-quinolyl]-2-(hexylthio)capramide Formula: C28H43N3O2S2 MolecularWeight: 517.78992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC)SCCCCCC

InChI

InChI=1S/C28H43N3O2S2/c1-5-7-9-11-12-13-17-24(35-19-14-10-8-6-2)28(33)31-27-22-16-15-18-29-26(22)23(30-21(3)32)20-25(27)34-4/h15-16,18,20,24H,5-14,17,19H2,1-4H3,(H,30,32)(H,31,33)