(2Z,5E)-2-(3,3-dimethyl-2-oxidanylidene-butylidene)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-thiazolidin-4-one

Systemtic Name: (2Z,5E)-2-(3,3-dimethyl-2-oxidanylidene-butylidene)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-thiazolidin-4-one Openeye Name: (2Z,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(4-morpholino-3-nitro-phenyl)methylene]-3-(p-tolylmethyl)thiazolidin-4-one CAS Name: (2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-3-[(4-methylphenyl)methyl]-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-4-thiazolidinone IUPAC Name: (2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-3-[(4-methylphenyl)methyl]-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one Traditional Name: (2Z,5E)-2-(2-keto-3,3-dimethyl-butylidene)-3-(4-methylbenzyl)-5-(4-morpholino-3-nitro-benzylidene)thiazolidin-4-one Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC(=O)C(C)(C)C)SC(=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2/C(=C/C(=O)C(C)(C)C)/S/C(=C/C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C28H31N3O5S/c1-19-5-7-20(8-6-19)18-30-26(17-25(32)28(2,3)4)37-24(27(30)33)16-21-9-10-22(23(15-21)31(34)35)29-11-13-36-14-12-29/h5-10,15-17H,11-14,18H2,1-4H3/b24-16+,26-17-