4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-4-[(5Z)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]butanamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]butyramide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O5S2/c1-13-4-6-14(7-5-13)11-18-20(27)23(21(30)31-18)10-2-3-19(26)22-16-12-15(24(28)29)8-9-17(16)25/h4-9,11-12,25H,2-3,10H2,1H3,(H,22,26)/b18-11-