N-[(3,4-dimethoxyphenyl)methyl]-2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,7-dimethyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,7-dimethylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]-N-phenyl-N-veratryl-acetamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)N(CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)N(CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3S/c1-19-10-12-22-15-20(2)28(29-24(22)14-19)34-18-27(31)30(23-8-6-5-7-9-23)17-21-11-13-25(32-3)26(16-21)33-4/h5-16H,17-18H2,1-4H3