2-hexyl-N-(6-methylsulfanylquinolin-5-yl)decanethioamide

Systemtic Name: 2-hexyl-N-(6-methylsulfanylquinolin-5-yl)decanethioamide Openeye Name: 2-hexyl-N-(6-methylsulfanyl-5-quinolyl)decanethioamide CAS Name: 2-hexyl-N-[6-(methylthio)-5-quinolinyl]decanethioamide IUPAC Name: 2-hexyl-N-(6-methylsulfanylquinolin-5-yl)decanethioamide Traditional Name: 2-hexyl-N-[6-(methylthio)-5-quinolyl]thiocapramide Formula: C26H40N2S2 MolecularWeight: 444.7392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=S)NC1=C(C=CC2=C1C=CC=N2)SC

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=S)NC1=C(C=CC2=C1C=CC=N2)SC

InChI

InChI=1S/C26H40N2S2/c1-4-6-8-10-11-13-16-21(15-12-9-7-5-2)26(29)28-25-22-17-14-20-27-23(22)18-19-24(25)30-3/h14,17-21H,4-13,15-16H2,1-3H3,(H,28,29)