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

Systemtic Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methylene]-3-isobutyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-isobutyl-5-[(4-piperonylpiperazino)methylene]-2-thioxo-thiazolidin-4-one Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)SC1=S

Isomeric SMILES

CC(C)CN1C(=O)C(=CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)SC1=S

InChI

InChI=1S/C20H25N3O3S2/c1-14(2)10-23-19(24)18(28-20(23)27)12-22-7-5-21(6-8-22)11-15-3-4-16-17(9-15)26-13-25-16/h3-4,9,12,14H,5-8,10-11,13H2,1-2H3