N-(3,4-dimethylphenyl)-2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]ethanamide Openeye Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[4-acetyl-2-[(2-pyrimidinylthio)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[4-acetyl-2-[(2-pyrimidylthio)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)C)CSC3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)C)CSC3=NC=CC=N3)C

InChI

InChI=1S/C23H23N3O3S/c1-15-5-7-20(11-16(15)2)26-22(28)13-29-21-8-6-18(17(3)27)12-19(21)14-30-23-24-9-4-10-25-23/h4-12H,13-14H2,1-3H3,(H,26,28)