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

Systemtic Name: 5-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O4S/c1-2-28-12-11-19(26)24-25-21(30)23-20(27)17-14-16(22)8-9-18(17)29-13-10-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,24,26)(H2,23,25,27,30)