N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C21H14BrClN4O2S MolecularWeight: 501.78346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Cl

InChI

InChI=1S/C21H14BrClN4O2S/c22-14-8-13(10-24-11-14)20-26-17-9-16(5-6-18(17)29-20)25-21(30)27-19(28)7-12-1-3-15(23)4-2-12/h1-6,8-11H,7H2,(H2,25,27,28,30)