N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]hexanamide

Systemtic Name: N-[4-(2-pyrimidin-2-ylsulfanylethanoyl)phenyl]hexanamide Openeye Name: N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]hexanamide CAS Name: N-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]phenyl]hexanamide IUPAC Name: N-[4-(2-pyrimidin-2-ylsulfanylacetyl)phenyl]hexanamide Traditional Name: N-[4-[2-(2-pyrimidylthio)acetyl]phenyl]hexanamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C18H21N3O2S/c1-2-3-4-6-17(23)21-15-9-7-14(8-10-15)16(22)13-24-18-19-11-5-12-20-18/h5,7-12H,2-4,6,13H2,1H3,(H,21,23)