2-bromanyl-N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H15BrFN3O2S2 MolecularWeight: 516.405803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)F)Br

InChI

InChI=1S/C22H15BrFN3O2S2/c23-17-4-2-1-3-16(17)21(29)26-15-9-10-18-19(11-15)31-22(27-18)30-12-20(28)25-14-7-5-13(24)6-8-14/h1-11H,12H2,(H,25,28)(H,26,29)