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

Systemtic Name: N-(phenylmethyl)-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2S/c32-23(28-17-20-7-2-1-3-8-20)18-30-13-6-14-31(16-15-30)24(33)19-34-25-27-12-10-22(29-25)21-9-4-5-11-26-21/h1-5,7-12H,6,13-19H2,(H,28,32)