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

Systemtic Name: N-(phenylmethyl)-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]acetamide Formula: C24H27N5O2S2 MolecularWeight: 481.63348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S2/c30-22(26-16-19-6-2-1-3-7-19)17-28-11-5-12-29(14-13-28)23(31)18-33-24-25-10-9-20(27-24)21-8-4-15-32-21/h1-4,6-10,15H,5,11-14,16-18H2,(H,26,30)