N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C13H14IN3O3S MolecularWeight: 419.23803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2CC2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2CC2)I

InChI

InChI=1S/C13H14IN3O3S/c1-20-10-5-4-8(6-9(10)14)12(19)16-17-13(21)15-11(18)7-2-3-7/h4-7H,2-3H2,1H3,(H,16,19)(H2,15,17,18,21)