N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24IN3O4S MolecularWeight: 541.40243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C21H24IN3O4S/c1-3-4-7-12-29-17-9-6-5-8-15(17)20(27)23-21(30)25-24-19(26)14-10-11-18(28-2)16(22)13-14/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,24,26)(H2,23,25,27,30)