5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-(butyramidothiocarbamoyl)-2-methoxy-benzamide Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-3-4-11(18)16-17-13(21)15-12(19)9-7-8(14)5-6-10(9)20-2/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,15,17,19,21)