N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: N-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide Formula: C27H18ClFN2OS2 MolecularWeight: 505.026023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H18ClFN2OS2/c28-19-12-10-18(11-13-19)25(17-6-2-1-3-7-17)34-27-31-23-15-14-20(16-24(23)33-27)30-26(32)21-8-4-5-9-22(21)29/h1-16,25H,(H,30,32)