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

Systemtic Name: 3-iodanyl-4-methyl-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C17H16IN3O3S MolecularWeight: 469.29671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)I

InChI

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