2-hexylsulfanyl-N-isoquinolin-5-yl-heptanamide

Systemtic Name: 2-hexylsulfanyl-N-isoquinolin-5-yl-heptanamide Openeye Name: 2-hexylsulfanyl-N-(5-isoquinolyl)heptanamide CAS Name: 2-(hexylthio)-N-(5-isoquinolinyl)heptanamide IUPAC Name: 2-hexylsulfanyl-N-isoquinolin-5-ylheptanamide Traditional Name: 2-(hexylthio)-N-(5-isoquinolyl)enanthamide Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CCCCC)C(=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCCCSC(CCCCC)C(=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C22H32N2OS/c1-3-5-7-9-16-26-21(13-8-6-4-2)22(25)24-20-12-10-11-18-17-23-15-14-19(18)20/h10-12,14-15,17,21H,3-9,13,16H2,1-2H3,(H,24,25)