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

Systemtic Name: 5-bromanyl-N-[(butanoylamino)carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[(butanoylamino)carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-(butyramidothiocarbamoyl)-2-ethoxy-benzamide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O3S/c1-3-5-12(19)17-18-14(22)16-13(20)10-8-9(15)6-7-11(10)21-4-2/h6-8H,3-5H2,1-2H3,(H,17,19)(H2,16,18,20,22)