N-(3-ethanoylphenyl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(3-benzyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-(3-benzylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(3-benzyl-2-quinolyl)thio]acetamide Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-18(29)20-11-7-12-23(16-20)27-25(30)17-31-26-22(14-19-8-3-2-4-9-19)15-21-10-5-6-13-24(21)28-26/h2-13,15-16H,14,17H2,1H3,(H,27,30)