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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-2-26-16-10-9-14(12-15(16)20)18(25)21-19(27)23-22-17(24)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,22,24)(H2,21,23,25,27)