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

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)propanamide Openeye Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(o-tolyl)propanamide CAS Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2-methylphenyl)propanamide IUPAC Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)propanamide Traditional Name: 3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-N-(o-tolyl)propionamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C21H18N2O4S2/c1-13-4-2-3-5-15(13)22-19(24)8-9-23-20(25)18(29-21(23)28)11-14-6-7-16-17(10-14)27-12-26-16/h2-7,10-11H,8-9,12H2,1H3,(H,22,24)/b18-11-