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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C23H19BrFN3OS2 MolecularWeight: 516.448863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrFN3OS2/c24-16-6-11-20-21(14-16)31-23(27-20)28(15-18-4-1-2-12-26-18)22(29)5-3-13-30-19-9-7-17(25)8-10-19/h1-2,4,6-12,14H,3,5,13,15H2