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

Systemtic Name: N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C24H16N2O5S MolecularWeight: 444.45924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C24H16N2O5S/c27-22(16-8-9-20-21(12-16)30-13-29-20)26-24(32)25-17-6-3-5-14(10-17)18-11-15-4-1-2-7-19(15)31-23(18)28/h1-12H,13H2,(H2,25,26,27,32)