N-[5-(2-hexyldecanethioylamino)quinolin-6-yl]ethanamide

Systemtic Name: N-[5-(2-hexyldecanethioylamino)quinolin-6-yl]ethanamide Openeye Name: N-[5-(2-hexyldecanethioylamino)-6-quinolyl]acetamide CAS Name: N-[5-[(2-hexyl-1-sulfanylidenedecyl)amino]-6-quinolinyl]acetamide IUPAC Name: N-[5-(2-hexyldecanethioylamino)quinolin-6-yl]acetamide Traditional Name: N-[5-(2-hexyldecanethioylamino)-6-quinolyl]acetamide Formula: C27H41N3OS MolecularWeight: 455.69894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3OS/c1-4-6-8-10-11-13-16-22(15-12-9-7-5-2)27(32)30-26-23-17-14-20-28-24(23)18-19-25(26)29-21(3)31/h14,17-20,22H,4-13,15-16H2,1-3H3,(H,29,31)(H,30,32)