3-iodanyl-4-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C17H16IN3O3S MolecularWeight: 469.29671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2)I

InChI

InChI=1S/C17H16IN3O3S/c1-24-14-8-7-12(10-13(14)18)16(23)19-17(25)21-20-15(22)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,22)(H2,19,21,23,25)