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

Systemtic Name: N-(4-butoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H23N3O2S/c1-4-5-10-23-16-8-6-15(7-9-16)21-17(22)12-24-18-19-13(2)11-14(3)20-18/h6-9,11H,4-5,10,12H2,1-3H3,(H,21,22)