N-[4-(azepan-1-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C18H24N4OS/c1-21-13-10-19-18(21)24-14-17(23)20-15-6-8-16(9-7-15)22-11-4-2-3-5-12-22/h6-10,13H,2-5,11-12,14H2,1H3,(H,20,23)