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

Systemtic Name: 2-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c23-19-12-5-4-11-18(19)21(28)26-22(29)25-17-10-6-9-16(14-17)24-20(27)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,24,27)(H2,25,26,28,29)