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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-benzylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-benzyl-2-quinolyl)thio]acetamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S/c28-24(26-20-10-11-22-23(14-20)30-16-29-22)15-31-25-19(12-17-6-2-1-3-7-17)13-18-8-4-5-9-21(18)27-25/h1-11,13-14H,12,15-16H2,(H,26,28)