4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)butyramide Formula: C22H17N3O4S3 MolecularWeight: 483.58308

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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=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3O4S3/c26-19(24-21-23-14-4-1-2-5-17(14)31-21)6-3-9-25-20(27)18(32-22(25)30)11-13-7-8-15-16(10-13)29-12-28-15/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,24,26)