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

Systemtic Name: (5E)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-(4-phenylpiperazin-1-yl)thiazol-4-one CAS Name: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5E)-5-(4-hydroxy-3-nitro-benzylidene)-2-(4-phenylpiperazino)-2-thiazolin-4-one Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=CC4=CC(=C(C=C4)O)[N+](=O)[O-])S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3

InChI

InChI=1S/C20H18N4O4S/c25-17-7-6-14(12-16(17)24(27)28)13-18-19(26)21-20(29-18)23-10-8-22(9-11-23)15-4-2-1-3-5-15/h1-7,12-13,25H,8-11H2/b18-13+