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

Systemtic Name: N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-fluoro-benzamide Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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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=CC=CC=C4F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C22H15ClFN3O2S/c1-12-6-8-14(16(23)10-12)21-26-18-11-13(7-9-19(18)29-21)25-22(30)27-20(28)15-4-2-3-5-17(15)24/h2-11H,1H3,(H2,25,27,28,30)