3-iodanyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

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