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

Systemtic Name: 2-iodanyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C22H18IN3O3S MolecularWeight: 531.36609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C22H18IN3O3S/c23-19-12-5-4-11-18(19)21(28)26-22(30)25-16-8-6-7-15(13-16)24-20(27)14-29-17-9-2-1-3-10-17/h1-13H,14H2,(H,24,27)(H2,25,26,28,30)