(5Z)-3-[6-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-hexyl]-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-3-[6-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-hexyl]-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-benzylidene-3-[6-(4-methylpiperazin-4-ium-1-yl)-6-oxo-hexyl]-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-[6-(4-methyl-1-piperazin-4-iumyl)-6-oxohexyl]-5-(phenylmethylene)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-benzylidene-3-[6-(4-methylpiperazin-4-ium-1-yl)-6-oxohexyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-benzal-3-[6-keto-6-(4-methylpiperazin-4-ium-1-yl)hexyl]-2-thioxo-thiazolidin-4-one Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCCCN2C(=O)C(=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S

InChI

InChI=1S/C21H27N3O2S2/c1-22-12-14-23(15-13-22)19(25)10-6-3-7-11-24-20(26)18(28-21(24)27)16-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3/p+1/b18-16-