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

Systemtic Name: N-[4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O3S/c1-29-17-15-27-26(29)34-18-24(31)28-21-11-7-20(8-12-21)25(32)30-16-5-3-4-6-23(30)19-9-13-22(33-2)14-10-19/h7-15,17,23H,3-6,16,18H2,1-2H3,(H,28,31)