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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C21H13FIN3OS2 MolecularWeight: 533.380293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FIN3OS2/c22-13-5-3-4-12(10-13)19(27)26-21(28)25-16-9-8-14(23)11-15(16)20-24-17-6-1-2-7-18(17)29-20/h1-11H,(H2,25,26,27,28)