N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2S/c25-17(22-16-6-2-1-3-7-16)14-23-10-5-11-24(13-12-23)18(26)15-27-19-20-8-4-9-21-19/h1-4,6-9H,5,10-15H2,(H,22,25)