4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitro-2-oxidanyl-phenyl)butanamide

Systemtic Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitro-2-oxidanyl-phenyl)butanamide Openeye Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-4-nitro-phenyl)butanamide CAS Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2-hydroxy-4-nitrophenyl)butanamide IUPAC Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-4-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]butyramide Formula: C21H17N3O7S2 MolecularWeight: 487.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N3O7S2/c25-15-10-13(24(28)29)4-5-14(15)22-19(26)2-1-7-23-20(27)18(33-21(23)32)9-12-3-6-16-17(8-12)31-11-30-16/h3-6,8-10,25H,1-2,7,11H2,(H,22,26)/b18-9+