N-(2,6-dimethylphenyl)-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-pyrimidylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H27N5O2S/c1-16-6-3-7-17(2)20(16)24-18(27)14-25-10-5-11-26(13-12-25)19(28)15-29-21-22-8-4-9-23-21/h3-4,6-9H,5,10-15H2,1-2H3,(H,24,27)