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

Systemtic Name: N-[[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-methyl-3-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-methyl-3-oxazolo[4,5-b]pyridin-2-yl-phenyl)thiocarbamoyl]-piperonylamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=C(O4)C=CC=N5

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=C(O4)C=CC=N5

InChI

InChI=1S/C22H16N4O4S/c1-12-14(21-25-19-17(30-21)6-3-9-23-19)4-2-5-15(12)24-22(31)26-20(27)13-7-8-16-18(10-13)29-11-28-16/h2-10H,11H2,1H3,(H2,24,26,27,31)