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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H24N2O3S/c1-30-22-14-21(15-23(16-22)31-2)27-25(29)17-32-26-20(12-18-8-4-3-5-9-18)13-19-10-6-7-11-24(19)28-26/h3-11,13-16H,12,17H2,1-2H3,(H,27,29)