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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S2/c23-17(14-26-18-19-10-5-11-20-18)21-15-6-8-16(9-7-15)27(24,25)22-12-3-1-2-4-13-22/h5-11H,1-4,12-14H2,(H,21,23)