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

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-3-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]-5-piperonylidene-2-thioxo-thiazolidin-4-one Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C20H23N3O4S2/c1-21-7-9-22(10-8-21)18(24)3-2-6-23-19(25)17(29-20(23)28)12-14-4-5-15-16(11-14)27-13-26-15/h4-5,11-12H,2-3,6-10,13H2,1H3/p+1/b17-12-