3-iodanyl-4-methyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C17H16IN3O2S/c1-10-3-6-12(7-4-10)16(23)20-21-17(24)19-15(22)13-8-5-11(2)14(18)9-13/h3-9H,1-2H3,(H,20,23)(H2,19,21,22,24)