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

Systemtic Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide Openeye Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide CAS Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(4-methyl-1-piperazin-4-iumyl)butanamide IUPAC Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide Traditional Name: 4-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butyramide Formula: C20H25N4O4S2+ MolecularWeight: 449.5669

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C20H24N4O4S2/c1-22-7-9-23(10-8-22)21-18(25)3-2-6-24-19(26)17(30-20(24)29)12-14-4-5-15-16(11-14)28-13-27-15/h4-5,11-12H,2-3,6-10,13H2,1H3,(H,21,25)/p+1/b17-12+