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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16F2N2OS2 MolecularWeight: 378.459246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

InChI

InChI=1S/C18H16F2N2OS2/c19-13-9-14(20)17-15(10-13)25-18(22-17)21-16(23)7-4-8-24-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,22,23)