N-phenyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[2-[4-(2-pyridyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H26N6O2S/c31-22(27-19-7-2-1-3-8-19)17-29-13-6-14-30(16-15-29)23(32)18-33-24-26-12-10-21(28-24)20-9-4-5-11-25-20/h1-5,7-12H,6,13-18H2,(H,27,31)