N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)butanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-furfuryl)butyramide Formula: C22H18BrFN2O2S2 MolecularWeight: 505.422923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18BrFN2O2S2/c23-15-5-10-19-20(13-15)30-22(25-19)26(14-17-3-1-11-28-17)21(27)4-2-12-29-18-8-6-16(24)7-9-18/h1,3,5-11,13H,2,4,12,14H2