2-[[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1H-imidazol-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-3-prop-2-enyl-1H-imidazol-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[(5Z)-3-allyl-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-1H-imidazol-3-ium-2-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1H-imidazol-3-ium-2-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1H-imidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: 2-[[(4Z)-1-allyl-5-keto-4-vanillylidene-2-imidazolin-1-ium-2-yl]thio]-N-benzyl-acetamide Formula: C23H24N3O4S+ MolecularWeight: 438.51936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)[N+](=C(N2)SCC(=O)NCC3=CC=CC=C3)CC=C)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)[N+](=C(N2)SCC(=O)NCC3=CC=CC=C3)CC=C)O

InChI

InChI=1S/C23H23N3O4S/c1-3-11-26-22(29)18(12-17-9-10-19(27)20(13-17)30-2)25-23(26)31-15-21(28)24-14-16-7-5-4-6-8-16/h3-10,12-13H,1,11,14-15H2,2H3,(H2,24,27,28,29)/p+1