(5Z)-2-(4-ethylpiperazin-4-ium-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-(4-ethylpiperazin-4-ium-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(4-benzyloxyphenyl)methylene]-2-(4-ethylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-2-(4-ethyl-1-piperazin-4-iumyl)-5-[(4-phenylmethoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-ethylpiperazin-4-ium-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-5-(4-benzoxybenzylidene)-2-(4-ethylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)S2

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/S2

InChI

InChI=1S/C23H25N3O2S/c1-2-25-12-14-26(15-13-25)23-24-22(27)21(29-23)16-18-8-10-20(11-9-18)28-17-19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3/p+1/b21-16-