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

Systemtic Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)butanamide Openeye Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(3-methoxyphenyl)butanamide CAS Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(3-methoxyphenyl)butanamide IUPAC Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)butanamide Traditional Name: 4-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-N-(3-methoxyphenyl)butyramide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C22H20N2O5S2/c1-27-16-5-2-4-15(12-16)23-20(25)6-3-9-24-21(26)19(31-22(24)30)11-14-7-8-17-18(10-14)29-13-28-17/h2,4-5,7-8,10-12H,3,6,9,13H2,1H3,(H,23,25)/b19-11-