N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-homoveratryl-acetamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-32-25-13-12-21(17-26(25)33-2)14-15-29-27(31)19-34-28-23(16-20-8-4-3-5-9-20)18-22-10-6-7-11-24(22)30-28/h3-13,17-18H,14-16,19H2,1-2H3,(H,29,31)