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

Systemtic Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-fluoro-benzamide Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN3O2S/c1-13-8-14(2)10-16(9-13)22-26-19-12-18(6-7-20(19)29-22)25-23(30)27-21(28)15-4-3-5-17(24)11-15/h3-12H,1-2H3,(H2,25,27,28,30)