N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-benzyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3S/c29-25(27-15-19-10-11-23-24(13-19)31-17-30-23)16-32-26-21(12-18-6-2-1-3-7-18)14-20-8-4-5-9-22(20)28-26/h1-11,13-14H,12,15-17H2,(H,27,29)