N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3CC5=CC=CC=C5

InChI

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