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

Systemtic Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H13ClFN3O2S MolecularWeight: 425.863223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C21H13ClFN3O2S/c22-14-5-1-13(2-6-14)20-25-17-11-16(9-10-18(17)28-20)24-21(29)26-19(27)12-3-7-15(23)8-4-12/h1-11H,(H2,24,26,27,29)