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

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C15H20IN3O2S MolecularWeight: 433.30767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20IN3O2S/c1-3-4-5-6-13(20)18-19-15(22)17-14(21)11-8-7-10(2)12(16)9-11/h7-9H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21,22)