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

Systemtic Name: 3-iodanyl-4-methoxy-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C23H20IN3O4S MolecularWeight: 561.39207

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)I

InChI

InChI=1S/C23H20IN3O4S/c1-30-20-12-9-17(13-19(20)24)22(29)25-23(32)27-26-21(28)14-31-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,28)(H2,25,27,29,32)