N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C22H17F2N3OS2 MolecularWeight: 441.516686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C22H17F2N3OS2/c23-17-9-18(24)21-19(10-17)30-22(26-21)27(12-16-7-4-8-25-11-16)20(28)14-29-13-15-5-2-1-3-6-15/h1-11H,12-14H2