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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-bis(chloranyl)benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dichloro-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,4-dichlorobenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dichlorobenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,4-dichloro-benzamide Formula: C21H12BrCl2N3O2S MolecularWeight: 521.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl)Br

InChI

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