N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O2S/c1-12-9-19-20(10-13(12)2)30-22(27-19)17-11-16(7-8-18(17)24)26-23(31)28-21(29)14-3-5-15(25)6-4-14/h3-11H,1-2H3,(H2,26,28,29,31)