(5E)-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methylidene]-3-phenyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-phenyl-5-[(4-piperonylpiperazin-4-ium-1-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C22H22N3O3S2+ MolecularWeight: 440.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C=C4C(=O)N(C(=S)S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)/C=C/4\C(=O)N(C(=S)S4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N3O3S2/c26-21-20(30-22(29)25(21)17-4-2-1-3-5-17)14-24-10-8-23(9-11-24)13-16-6-7-18-19(12-16)28-15-27-18/h1-7,12,14H,8-11,13,15H2/p+1/b20-14+