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

Systemtic Name: 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide Openeye Name: 4-[(5E)-5-(2-furylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide CAS Name: 4-[(5E)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(4-methyl-1-piperazin-4-iumyl)butanamide IUPAC Name: 4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butanamide Traditional Name: 4-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)butyramide Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCCN2C(=O)C(=CC3=CC=CO3)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S

InChI

InChI=1S/C17H22N4O3S2/c1-19-7-9-20(10-8-19)18-15(22)5-2-6-21-16(23)14(26-17(21)25)12-13-4-3-11-24-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,22)/p+1/b14-12+