4-chloranyl-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: 4-chloro-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: 4-chloro-N-[2-[(3-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: 4-chloro-N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: 4-chloro-N-[2-[(3-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C22H16ClFN2OS2 MolecularWeight: 442.956643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H16ClFN2OS2/c1-13-9-15(23)5-7-18(13)21(27)25-17-6-8-19-20(11-17)29-22(26-19)28-12-14-3-2-4-16(24)10-14/h2-11H,12H2,1H3,(H,25,27)