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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C21H14FN3O2S MolecularWeight: 391.418163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14FN3O2S/c22-15-7-3-5-13(11-15)19(26)25-21(28)23-16-8-4-6-14(12-16)20-24-17-9-1-2-10-18(17)27-20/h1-12H,(H2,23,25,26,28)