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

Systemtic Name: N-(4-bromanylisoquinolin-5-yl)-2-hexylsulfanyl-decanamide Openeye Name: N-(4-bromo-5-isoquinolyl)-2-hexylsulfanyl-decanamide CAS Name: N-(4-bromo-5-isoquinolinyl)-2-(hexylthio)decanamide IUPAC Name: N-(4-bromoisoquinolin-5-yl)-2-hexylsulfanyldecanamide Traditional Name: N-(4-bromo-5-isoquinolyl)-2-(hexylthio)capramide Formula: C25H37BrN2OS MolecularWeight: 493.54308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37BrN2OS/c1-3-5-7-9-10-11-16-23(30-17-12-8-6-4-2)25(29)28-22-15-13-14-20-18-27-19-21(26)24(20)22/h13-15,18-19,23H,3-12,16-17H2,1-2H3,(H,28,29)