3-bromanyl-N-[(butanoylamino)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(butanoylamino)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-(butyramidothiocarbamoyl)-4-methyl-benzamide Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O2S/c1-3-4-11(18)16-17-13(20)15-12(19)9-6-5-8(2)10(14)7-9/h5-7H,3-4H2,1-2H3,(H,16,18)(H2,15,17,19,20)