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

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-benzamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-chlorobenzamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-chloro-benzamide Formula: C21H12BrCl2N3O2S MolecularWeight: 521.21388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrCl2N3O2S/c22-12-4-6-16(24)15(9-12)20-26-17-10-14(5-7-18(17)29-20)25-21(30)27-19(28)11-2-1-3-13(23)8-11/h1-10H,(H2,25,27,28,30)