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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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