N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C23H17BrClN3O3S MolecularWeight: 530.82138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C23H17BrClN3O3S/c1-13-4-2-3-5-19(13)30-12-21(29)28-23(32)26-15-7-9-20-18(11-15)27-22(31-20)16-10-14(24)6-8-17(16)25/h2-11H,12H2,1H3,(H2,26,28,29,32)