2-butylsulfanyl-N-isoquinolin-5-yl-octanamide

Systemtic Name: 2-butylsulfanyl-N-isoquinolin-5-yl-octanamide Openeye Name: 2-butylsulfanyl-N-(5-isoquinolyl)octanamide CAS Name: 2-(butylthio)-N-(5-isoquinolinyl)octanamide IUPAC Name: 2-butylsulfanyl-N-isoquinolin-5-yloctanamide Traditional Name: 2-(butylthio)-N-(5-isoquinolyl)caprylamide Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SCCCC

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SCCCC

InChI

InChI=1S/C21H30N2OS/c1-3-5-7-8-12-20(25-15-6-4-2)21(24)23-19-11-9-10-17-16-22-14-13-18(17)19/h9-11,13-14,16,20H,3-8,12,15H2,1-2H3,(H,23,24)