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

Systemtic Name: 3-iodanyl-4-methyl-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22IN3O3S MolecularWeight: 511.37645

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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=C2C(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)C)I

InChI

InChI=1S/C20H22IN3O3S/c1-12(2)15-6-4-5-7-17(15)27-11-18(25)23-24-20(28)22-19(26)14-9-8-13(3)16(21)10-14/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,28)