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

Systemtic Name: N-phenethyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-[[4-(2-pyridyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C26H30N6O2S MolecularWeight: 490.6204

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CC=N3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O2S/c33-24(28-13-10-21-7-2-1-3-8-21)19-31-15-6-16-32(18-17-31)25(34)20-35-26-29-14-11-23(30-26)22-9-4-5-12-27-22/h1-5,7-9,11-12,14H,6,10,13,15-20H2,(H,28,33)