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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H13BrFN3OS2 MolecularWeight: 486.379823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrFN3OS2/c22-13-7-10-16(15(11-13)20-24-17-3-1-2-4-18(17)29-20)25-21(28)26-19(27)12-5-8-14(23)9-6-12/h1-11H,(H2,25,26,27,28)