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

Systemtic Name: 2-bromanyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrN3O2S/c18-14-9-5-4-8-13(14)16(23)19-17(24)21-20-15(22)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22)(H2,19,21,23,24)