N-[4-(azepan-1-ylcarbonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H22N4O2S/c24-17(14-26-19-20-10-5-11-21-19)22-16-8-6-15(7-9-16)18(25)23-12-3-1-2-4-13-23/h5-11H,1-4,12-14H2,(H,22,24)