(5E)-2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one CAS Name: (5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-thiazolone IUPAC Name: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-[4-(3-chloro-4-methyl-phenyl)piperazino]-5-[4-(4-nitrobenzyl)oxybenzylidene]-2-thiazolin-4-one Formula: C28H25ClN4O4S MolecularWeight: 549.0405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])/S3)Cl

InChI

InChI=1S/C28H25ClN4O4S/c1-19-2-7-23(17-25(19)29)31-12-14-32(15-13-31)28-30-27(34)26(38-28)16-20-5-10-24(11-6-20)37-18-21-3-8-22(9-4-21)33(35)36/h2-11,16-17H,12-15,18H2,1H3/b26-16+