3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(3-ethoxypropanoylamino)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(3-ethoxypropanoylamino)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-2-28-12-11-19(26)24-25-21(30)23-20(27)16-8-9-18(17(22)14-16)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)