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

Systemtic Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluoro-benzamide CAS Name: N-[2-[(3,4-dichlorophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-fluorobenzamide IUPAC Name: N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluorobenzamide Traditional Name: N-[2-[(3,4-dichlorobenzyl)thio]-1,3-benzothiazol-6-yl]-4-fluoro-benzamide Formula: C21H13Cl2FN2OS2 MolecularWeight: 463.375123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=C(C=C4)Cl)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=C(C=C4)Cl)Cl)F

InChI

InChI=1S/C21H13Cl2FN2OS2/c22-16-7-1-12(9-17(16)23)11-28-21-26-18-8-6-15(10-19(18)29-21)25-20(27)13-2-4-14(24)5-3-13/h1-10H,11H2,(H,25,27)