N-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)-2-heptyl-nonanamide

Systemtic Name: N-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)-2-heptyl-nonanamide Openeye Name: N-(8-acetamido-6-methylsulfanyl-5-quinolyl)-2-heptyl-nonanamide CAS Name: N-[8-acetamido-6-(methylthio)-5-quinolinyl]-2-heptylnonanamide IUPAC Name: N-(8-acetamido-6-methylsulfanylquinolin-5-yl)-2-heptylnonanamide Traditional Name: N-[8-acetamido-6-(methylthio)-5-quinolyl]-2-heptyl-pelargonamide Formula: C28H43N3O2S MolecularWeight: 485.72492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCC)C(=O)NC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC

Isomeric SMILES

CCCCCCCC(CCCCCCC)C(=O)NC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC

InChI

InChI=1S/C28H43N3O2S/c1-5-7-9-11-13-16-22(17-14-12-10-8-6-2)28(33)31-27-23-18-15-19-29-26(23)24(30-21(3)32)20-25(27)34-4/h15,18-20,22H,5-14,16-17H2,1-4H3,(H,30,32)(H,31,33)