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

Systemtic Name: 2,3-bis(chloranyl)-N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H14Cl3N3O2S MolecularWeight: 490.78946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)Cl)Cl)Cl

InChI

InChI=1S/C22H14Cl3N3O2S/c1-11-5-7-13(16(24)9-11)21-27-17-10-12(6-8-18(17)30-21)26-22(31)28-20(29)14-3-2-4-15(23)19(14)25/h2-10H,1H3,(H2,26,28,29,31)