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

Systemtic Name: N-phenethyl-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2S/c27-19(22-11-8-18-6-2-1-3-7-18)16-25-12-5-13-26(15-14-25)20(28)17-29-21-23-9-4-10-24-21/h1-4,6-7,9-10H,5,8,11-17H2,(H,22,27)