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

Systemtic Name: N-(phenylmethyl)-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC=N2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2S/c26-18(23-14-17-6-2-1-3-7-17)15-24-10-5-11-25(13-12-24)19(27)16-28-20-21-8-4-9-22-20/h1-4,6-9H,5,10-16H2,(H,23,26)