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

Systemtic Name: 3-[(5E)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: 3-[(5E)-5-(2-furylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: 3-[(5E)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: 3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: 3-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C16H21N4O3S2+ MolecularWeight: 381.49294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)C(=CC3=CC=CO3)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=S

InChI

InChI=1S/C16H20N4O3S2/c1-18-6-8-19(9-7-18)17-14(21)4-5-20-15(22)13(25-16(20)24)11-12-3-2-10-23-12/h2-3,10-11H,4-9H2,1H3,(H,17,21)/p+1/b13-11+