5-bromanyl-2-(2-methoxyethoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrN3O4S/c1-27-11-12-28-17-9-8-15(21)13-16(17)19(26)22-20(29)24-23-18(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,13H,7,10-12H2,1H3,(H,23,25)(H2,22,24,26,29)