5-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-2-hexoxy-benzamide Formula: C19H28BrN3O4S MolecularWeight: 474.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCOCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCOCC

InChI

InChI=1S/C19H28BrN3O4S/c1-3-5-6-7-11-27-16-9-8-14(20)13-15(16)18(25)21-19(28)23-22-17(24)10-12-26-4-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,24)(H2,21,23,25,28)