2-bromanyl-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrN3O2S/c1-2-14-10-11-20-19(12-14)26-22(29-20)15-6-5-7-16(13-15)25-23(30)27-21(28)17-8-3-4-9-18(17)24/h3-13H,2H2,1H3,(H2,25,27,28,30)