N-[6-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)hexan-2-yl]-10-oxidanylidene-decanamide

Systemtic Name: N-[6-(8-acetamido-6-methylsulfanyl-quinolin-5-yl)hexan-2-yl]-10-oxidanylidene-decanamide Openeye Name: N-[5-(8-acetamido-6-methylsulfanyl-5-quinolyl)-1-methyl-pentyl]-10-oxo-decanamide CAS Name: N-[6-[8-acetamido-6-(methylthio)-5-quinolinyl]hexan-2-yl]-10-oxodecanamide IUPAC Name: N-[6-(8-acetamido-6-methylsulfanylquinolin-5-yl)hexan-2-yl]-10-oxodecanamide Traditional Name: N-[5-[8-acetamido-6-(methylthio)-5-quinolyl]-1-methyl-pentyl]-10-keto-capramide Formula: C28H41N3O3S MolecularWeight: 499.70844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC)NC(=O)CCCCCCCCC=O

Isomeric SMILES

CC(CCCCC1=C(C=C(C2=C1C=CC=N2)NC(=O)C)SC)NC(=O)CCCCCCCCC=O

InChI

InChI=1S/C28H41N3O3S/c1-21(30-27(34)17-9-7-5-4-6-8-12-19-32)14-10-11-15-23-24-16-13-18-29-28(24)25(31-22(2)33)20-26(23)35-3/h13,16,18-21H,4-12,14-15,17H2,1-3H3,(H,30,34)(H,31,33)