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

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-4-fluoranyl-benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-4-fluoro-benzamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chloro-4-fluorobenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-4-fluorobenzamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-4-fluoro-benzamide Formula: C25H21ClFN3O2S MolecularWeight: 481.969543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFN3O2S/c1-25(2,3)15-6-4-14(5-7-15)23-29-20-13-17(9-11-21(20)32-23)28-24(33)30-22(31)18-10-8-16(27)12-19(18)26/h4-13H,1-3H3,(H2,28,30,31,33)