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

Systemtic Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-benzylidene-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-thioxo-thiazolidin-4-one CAS Name: 3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-5-(phenylmethylene)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-benzylidene-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-benzal-3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-thioxo-thiazolidin-4-one Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-19-9-11-20(12-10-19)16(22)7-8-21-17(23)15(25-18(21)24)13-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3/p+1