5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-thioxo-thiazolidin-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-piperonylidene-2-thioxo-thiazolidin-4-one Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C19H21N3O4S2/c1-20-6-8-21(9-7-20)17(23)4-5-22-18(24)16(28-19(22)27)11-13-2-3-14-15(10-13)26-12-25-14/h2-3,10-11H,4-9,12H2,1H3/p+1