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

Systemtic Name: N-[[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-methyl-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(2-ketochromen-3-yl)-3-methyl-phenyl]thiocarbamoyl]-piperonylamide Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C25H18N2O5S/c1-14-10-17(7-8-18(14)19-11-15-4-2-3-5-20(15)32-24(19)29)26-25(33)27-23(28)16-6-9-21-22(12-16)31-13-30-21/h2-12H,13H2,1H3,(H2,26,27,28,33)