N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H14FN3OS2 MolecularWeight: 407.483763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3OS2/c22-15-10-8-13(9-11-15)19(26)25-21(27)23-16-5-3-4-14(12-16)20-24-17-6-1-2-7-18(17)28-20/h1-12H,(H2,23,25,26,27)