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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c23-17(14-24-18-19-10-5-11-20-18)21-15-6-8-16(9-7-15)22-12-3-1-2-4-13-22/h5-11H,1-4,12-14H2,(H,21,23)