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

Systemtic Name: 2-hexylsulfanyl-N-(6-methylisoquinolin-5-yl)decanamide Openeye Name: 2-hexylsulfanyl-N-(6-methyl-5-isoquinolyl)decanamide CAS Name: 2-(hexylthio)-N-(6-methyl-5-isoquinolinyl)decanamide IUPAC Name: 2-hexylsulfanyl-N-(6-methylisoquinolin-5-yl)decanamide Traditional Name: 2-(hexylthio)-N-(6-methyl-5-isoquinolyl)capramide Formula: C26H40N2OS MolecularWeight: 428.6736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CN=C2)C)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CN=C2)C)SCCCCCC

InChI

InChI=1S/C26H40N2OS/c1-4-6-8-10-11-12-14-24(30-19-13-9-7-5-2)26(29)28-25-21(3)15-16-22-20-27-18-17-23(22)25/h15-18,20,24H,4-14,19H2,1-3H3,(H,28,29)