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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-2-3-7-19-16(21)6-8-20-17(22)15(26-18(20)25)10-12-4-5-13-14(9-12)24-11-23-13/h4-5,9-10H,2-3,6-8,11H2,1H3,(H,19,21)/b15-10-