N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-pyrimidylthio)acetamide Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O3S2/c1-15-7-8-16(22-18(24)14-27-19-20-9-6-10-21-19)13-17(15)28(25,26)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12,14H2,1H3,(H,22,24)