N-(4-ethanoylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide Openeye Name: N-(4-acetylphenyl)-2-pyrimidin-2-ylsulfanyl-butanamide CAS Name: N-(4-acetylphenyl)-2-(2-pyrimidinylthio)butanamide IUPAC Name: N-(4-acetylphenyl)-2-pyrimidin-2-ylsulfanylbutanamide Traditional Name: N-(4-acetylphenyl)-2-(2-pyrimidylthio)butyramide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC=CC=N2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC=CC=N2

InChI

InChI=1S/C16H17N3O2S/c1-3-14(22-16-17-9-4-10-18-16)15(21)19-13-7-5-12(6-8-13)11(2)20/h4-10,14H,3H2,1-2H3,(H,19,21)