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

Systemtic Name: 2-chloranyl-N-[[2-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[[2-(2-chloro-4,5-difluoro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[[2-(2-chloro-4,5-difluoro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H10Cl2F2N4O4S MolecularWeight: 523.296306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(O2)C4=CC(=C(C=C4Cl)F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=C(O2)C4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C21H10Cl2F2N4O4S/c22-13-6-10(29(31)32)2-3-11(13)19(30)28-21(34)26-9-1-4-18-17(5-9)27-20(33-18)12-7-15(24)16(25)8-14(12)23/h1-8H,(H2,26,28,30,34)