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

Systemtic Name: (5E)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(5-bromo-2-methoxy-phenyl)methylene]-2-(4-phenylpiperazin-1-yl)thiazol-4-one CAS Name: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-phenyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(5-bromo-2-methoxy-benzylidene)-2-(4-phenylpiperazino)-2-thiazolin-4-one Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O2S/c1-27-18-8-7-16(22)13-15(18)14-19-20(26)23-21(28-19)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3/b19-14+