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

Systemtic Name: N-[(butanoylamino)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-(butyramidothiocarbamoyl)-3-iodo-4-methoxy-benzamide Formula: C13H16IN3O3S MolecularWeight: 421.25391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16IN3O3S/c1-3-4-11(18)16-17-13(21)15-12(19)8-5-6-10(20-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,15,17,19,21)