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

Systemtic Name: N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-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=C4)F)Cl

Isomeric SMILES

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

InChI

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