(5E)-5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-2-(4-phenylpiperazin-1-yl)thiazol-4-one CAS Name: (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(4-phenyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(4,5-dimethoxy-2-nitro-benzylidene)-2-(4-phenylpiperazino)-2-thiazolin-4-one Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O5S/c1-30-18-12-15(17(26(28)29)14-19(18)31-2)13-20-21(27)23-22(32-20)25-10-8-24(9-11-25)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3/b20-13+