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

Systemtic Name: 2-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H21BrN2O2S MolecularWeight: 469.39404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H21BrN2O2S/c24-21-14-5-4-13-20(21)22(27)26-23(29)25-18-11-6-12-19(16-18)28-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H2,25,26,27,29)