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

Systemtic Name: 2-bromanyl-N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClN3O2S/c22-16-4-2-1-3-15(16)19(27)26-21(29)24-14-9-10-18-17(11-14)25-20(28-18)12-5-7-13(23)8-6-12/h1-11H,(H2,24,26,27,29)