N-isoquinolin-5-yl-2-(phenylmethylsulfanyl)decanamide

Systemtic Name: N-isoquinolin-5-yl-2-(phenylmethylsulfanyl)decanamide Openeye Name: 2-benzylsulfanyl-N-(5-isoquinolyl)decanamide CAS Name: N-(5-isoquinolinyl)-2-(phenylmethylthio)decanamide IUPAC Name: 2-benzylsulfanyl-N-isoquinolin-5-yldecanamide Traditional Name: 2-(benzylthio)-N-(5-isoquinolyl)capramide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2OS/c1-2-3-4-5-6-10-16-25(30-20-21-12-8-7-9-13-21)26(29)28-24-15-11-14-22-19-27-18-17-23(22)24/h7-9,11-15,17-19,25H,2-6,10,16,20H2,1H3,(H,28,29)