N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)C)C

InChI

InChI=1S/C24H20FN3O2S/c1-13-11-14(2)21-20(12-13)26-23(30-21)18-5-4-6-19(15(18)3)27-24(31)28-22(29)16-7-9-17(25)10-8-16/h4-12H,1-3H3,(H2,27,28,29,31)