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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl)F

InChI

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