N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H22FN3OS2 MolecularWeight: 451.579383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C24H22FN3OS2/c25-19-11-12-21-22(15-19)31-24(27-21)28(16-20-9-4-5-13-26-20)23(29)10-6-14-30-17-18-7-2-1-3-8-18/h1-5,7-9,11-13,15H,6,10,14,16-17H2