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

Systemtic Name: 3-iodanyl-4-methoxy-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H22IN3O4S MolecularWeight: 527.37585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C20H22IN3O4S/c1-12(2)13-4-7-15(8-5-13)28-11-18(25)23-24-20(29)22-19(26)14-6-9-17(27-3)16(21)10-14/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,29)