2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-N-o-phenetyl-2-phenyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C22H23N3O2S/c1-4-27-19-13-9-8-12-18(19)25-22(26)21(17-10-6-5-7-11-17)28-20-14-15(2)23-16(3)24-20/h5-14,21H,4H2,1-3H3,(H,25,26)