N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-hydroxy-3,5-dimethyl-benzyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H22N2O2S/c1-13-10-20(23-18-7-5-4-6-17(13)18)26-12-19(24)22-11-16-8-14(2)21(25)15(3)9-16/h4-10,25H,11-12H2,1-3H3,(H,22,24)