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

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]butanamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]butanamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]butyramide Formula: C13H16IN3O3S MolecularWeight: 421.25391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

Isomeric SMILES

CCCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

InChI

InChI=1S/C13H16IN3O3S/c1-3-4-11(18)15-13(21)17-16-12(19)8-5-6-10(20-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H,16,19)(H2,15,17,18,21)