3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propionamide Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C22H18N2O5S2/c1-13(25)15-3-5-16(6-4-15)23-20(26)8-9-24-21(27)19(31-22(24)30)11-14-2-7-17-18(10-14)29-12-28-17/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)/b19-11-