N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C21H13ClFN3OS2 MolecularWeight: 441.928823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)F

InChI

InChI=1S/C21H13ClFN3OS2/c22-14-10-9-12(20-24-16-7-3-4-8-18(16)29-20)11-17(14)25-21(28)26-19(27)13-5-1-2-6-15(13)23/h1-11H,(H2,25,26,27,28)