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

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-chloro-benzamide Formula: C21H12BrCl2N3O2S MolecularWeight: 521.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl)Cl

InChI

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