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

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-tert-butyl-propanamide Openeye Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-tert-butyl-propanamide CAS Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-tert-butylpropanamide IUPAC Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-tert-butylpropanamide Traditional Name: N-tert-butyl-3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propionamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CC(C)(C)NC(=O)CCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C18H20N2O4S2/c1-18(2,3)19-15(21)6-7-20-16(22)14(26-17(20)25)9-11-4-5-12-13(8-11)24-10-23-12/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,21)/b14-9-