2-hexylsulfanyl-N-(4-methylsulfanylisoquinolin-5-yl)decanamide

Systemtic Name: 2-hexylsulfanyl-N-(4-methylsulfanylisoquinolin-5-yl)decanamide Openeye Name: 2-hexylsulfanyl-N-(4-methylsulfanyl-5-isoquinolyl)decanamide CAS Name: 2-(hexylthio)-N-[4-(methylthio)-5-isoquinolinyl]decanamide IUPAC Name: 2-hexylsulfanyl-N-(4-methylsulfanylisoquinolin-5-yl)decanamide Traditional Name: 2-(hexylthio)-N-[4-(methylthio)-5-isoquinolyl]capramide Formula: C26H40N2OS2 MolecularWeight: 460.7386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=CC=CC2=CN=CC(=C21)SC)SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=CC=CC2=CN=CC(=C21)SC)SCCCCCC

InChI

InChI=1S/C26H40N2OS2/c1-4-6-8-10-11-12-17-23(31-18-13-9-7-5-2)26(29)28-22-16-14-15-21-19-27-20-24(30-3)25(21)22/h14-16,19-20,23H,4-13,17-18H2,1-3H3,(H,28,29)