(5E)-2-(azepan-1-yl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-(azepan-1-yl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-(azepan-1-yl)-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-one CAS Name: (5E)-2-(1-azepanyl)-5-[(2,5-dimethoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-(azepan-1-yl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-(azepan-1-yl)-5-(2,5-dimethoxybenzylidene)-2-thiazolin-4-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=C2C(=O)N=C(S2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)N=C(S2)N3CCCCCC3

InChI

InChI=1S/C18H22N2O3S/c1-22-14-7-8-15(23-2)13(11-14)12-16-17(21)19-18(24-16)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3/b16-12+