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

Systemtic Name: 3-bromanyl-N-[(butanoylamino)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-(butyramidothiocarbamoyl)-4-ethoxy-benzamide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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