N-isoquinolin-5-yl-2-(4-propylphenyl)sulfanyl-decanamide

Systemtic Name: N-isoquinolin-5-yl-2-(4-propylphenyl)sulfanyl-decanamide Openeye Name: N-(5-isoquinolyl)-2-(4-propylphenyl)sulfanyl-decanamide CAS Name: N-(5-isoquinolinyl)-2-[(4-propylphenyl)thio]decanamide IUPAC Name: N-isoquinolin-5-yl-2-(4-propylphenyl)sulfanyldecanamide Traditional Name: N-(5-isoquinolyl)-2-[(4-propylphenyl)thio]capramide Formula: C28H36N2OS MolecularWeight: 448.66324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SC3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=CC=CC2=C1C=CN=C2)SC3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H36N2OS/c1-3-5-6-7-8-9-14-27(32-24-17-15-22(11-4-2)16-18-24)28(31)30-26-13-10-12-23-21-29-20-19-25(23)26/h10,12-13,15-21,27H,3-9,11,14H2,1-2H3,(H,30,31)