N-[(2-ethoxyethanoylamino)carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(2-ethoxyethanoylamino)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[(2-ethoxyacetyl)amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[(2-ethoxyacetyl)amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[(2-ethoxyacetyl)amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C13H16IN3O3S MolecularWeight: 421.25391

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)C)I

Isomeric SMILES

CCOCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)C)I

InChI

InChI=1S/C13H16IN3O3S/c1-3-20-7-11(18)16-17-13(21)15-12(19)9-5-4-8(2)10(14)6-9/h4-6H,3,7H2,1-2H3,(H,16,18)(H2,15,17,19,21)