N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[(4-fluoro-1-naphthyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[(4-fluoro-1-naphthalenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[(4-fluoro-1-naphthyl)methylthio]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C26H19FN2O2S2 MolecularWeight: 474.569663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

InChI

InChI=1S/C26H19FN2O2S2/c1-31-23-9-5-4-8-20(23)25(30)28-17-11-13-22-24(14-17)33-26(29-22)32-15-16-10-12-21(27)19-7-3-2-6-18(16)19/h2-14H,15H2,1H3,(H,28,30)