N-[(5-iodanyl-6-methyl-pyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(5-iodanyl-6-methyl-pyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(5-iodo-6-methyl-2-pyridyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(5-iodo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(5-iodo-6-methylpyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(5-iodo-6-methyl-2-pyridyl)thiocarbamoyl]-piperonylamide Formula: C15H12IN3O3S MolecularWeight: 441.24355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)I

Isomeric SMILES

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)I

InChI

InChI=1S/C15H12IN3O3S/c1-8-10(16)3-5-13(17-8)18-15(23)19-14(20)9-2-4-11-12(6-9)22-7-21-11/h2-6H,7H2,1H3,(H2,17,18,19,20,23)