N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C25H18N2O6S MolecularWeight: 474.48522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H18N2O6S/c1-30-21-12-16(7-8-17(21)18-10-14-4-2-3-5-19(14)33-24(18)29)26-25(34)27-23(28)15-6-9-20-22(11-15)32-13-31-20/h2-12H,13H2,1H3,(H2,26,27,28,34)