N-[4-(1,3-benzothiazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-5-ylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-(1,3-benzothiazol-5-ylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(1,3-benzothiazol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-5-ylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: N-[4-(1,3-benzothiazol-5-ylthiocarbamoylamino)phenyl]-2-fluoro-benzamide Formula: C21H15FN4OS2 MolecularWeight: 422.498403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)SC=N4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)SC=N4)F

InChI

InChI=1S/C21H15FN4OS2/c22-17-4-2-1-3-16(17)20(27)24-13-5-7-14(8-6-13)25-21(28)26-15-9-10-19-18(11-15)23-12-29-19/h1-12H,(H,24,27)(H2,25,26,28)