N-[(hexanoylamino)carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C15H20IN3O3S MolecularWeight: 449.30707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OC)I

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OC)I

InChI

InChI=1S/C15H20IN3O3S/c1-3-4-5-6-13(20)18-19-15(23)17-14(21)10-7-8-12(22-2)11(16)9-10/h7-9H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21,23)