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

Systemtic Name: N-[2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-benzamide Openeye Name: N-[2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-benzamide CAS Name: N-[2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-methylbenzamide IUPAC Name: N-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide Traditional Name: N-[2-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C23H18FN3O2S2 MolecularWeight: 451.536323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C23H18FN3O2S2/c1-14-6-8-15(9-7-14)22(29)25-16-10-11-19-20(12-16)31-23(27-19)30-13-21(28)26-18-5-3-2-4-17(18)24/h2-12H,13H2,1H3,(H,25,29)(H,26,28)