N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)CSC2=NC(=CC(=N2)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)CSC2=NC(=CC(=N2)C)C)OCC

InChI

InChI=1S/C22H31N3O3S/c1-7-27-18-10-9-17(12-19(18)28-8-2)21(14(3)4)25-20(26)13-29-22-23-15(5)11-16(6)24-22/h9-12,14,21H,7-8,13H2,1-6H3,(H,25,26)