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

Systemtic Name: 2-bromanyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H20BrN3O2S/c24-20-9-5-4-8-19(20)22(29)27-23(30)26-18-13-11-17(12-14-18)25-21(28)15-10-16-6-2-1-3-7-16/h1-9,11-14H,10,15H2,(H,25,28)(H2,26,27,29,30)