2-hexylsulfanyl-N-(6-nitroquinolin-5-yl)decanamide

Systemtic Name: 2-hexylsulfanyl-N-(6-nitroquinolin-5-yl)decanamide Openeye Name: 2-hexylsulfanyl-N-(6-nitro-5-quinolyl)decanamide CAS Name: 2-(hexylthio)-N-(6-nitro-5-quinolinyl)decanamide IUPAC Name: 2-hexylsulfanyl-N-(6-nitroquinolin-5-yl)decanamide Traditional Name: 2-(hexylthio)-N-(6-nitro-5-quinolyl)capramide Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)[N+](=O)[O-])SCCCCCC

Isomeric SMILES

CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)[N+](=O)[O-])SCCCCCC

InChI

InChI=1S/C25H37N3O3S/c1-3-5-7-9-10-11-15-23(32-19-12-8-6-4-2)25(29)27-24-20-14-13-18-26-21(20)16-17-22(24)28(30)31/h13-14,16-18,23H,3-12,15,19H2,1-2H3,(H,27,29)