N-[(hexanoylamino)carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-2-iodo-benzamide CAS Name: 2-iodo-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-2-iodobenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-2-iodo-benzamide Formula: C14H18IN3O2S MolecularWeight: 419.28109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1I

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C14H18IN3O2S/c1-2-3-4-9-12(19)17-18-14(21)16-13(20)10-7-5-6-8-11(10)15/h5-8H,2-4,9H2,1H3,(H,17,19)(H2,16,18,20,21)