N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22IN3O3S MolecularWeight: 511.37645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

InChI

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