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

Systemtic Name: 2-bromanyl-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-[(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=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

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

InChI

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