N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-fluoranyl-benzamide

Systemtic Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-fluoranyl-benzamide Openeye Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-4-fluoro-benzamide CAS Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-4-fluorobenzamide IUPAC Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-fluorobenzamide Traditional Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]-4-fluoro-benzamide Formula: C23H18FN3O2S2 MolecularWeight: 451.536323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18FN3O2S2/c1-29-20-11-6-15(13-25-27-22(28)16-7-9-18(24)10-8-16)12-17(20)14-30-23-26-19-4-2-3-5-21(19)31-23/h2-13H,14H2,1H3,(H,27,28)/b25-13+