3-[(4E)-1-(3-methoxyphenyl)-5-oxidanylidene-4-[(4-propan-2-ylphenyl)methylidene]imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[(4E)-1-(3-methoxyphenyl)-5-oxidanylidene-4-[(4-propan-2-ylphenyl)methylidene]imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[(4E)-4-[(4-isopropylphenyl)methylene]-1-(3-methoxyphenyl)-5-oxo-imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[(4E)-1-(3-methoxyphenyl)-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[(4E)-1-(3-methoxyphenyl)-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]imidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[(4E)-4-(4-isopropylbenzylidene)-5-keto-1-(3-methoxyphenyl)-2-imidazolin-2-yl]thio]azepan-2-one Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC3CCCCNC3=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)SC3CCCCNC3=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29N3O3S/c1-17(2)19-12-10-18(11-13-19)15-22-25(31)29(20-7-6-8-21(16-20)32-3)26(28-22)33-23-9-4-5-14-27-24(23)30/h6-8,10-13,15-17,23H,4-5,9,14H2,1-3H3,(H,27,30)/b22-15+