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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C23H19F2N3OS2 MolecularWeight: 455.543266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19F2N3OS2/c24-16-6-9-19(10-7-16)30-13-3-5-22(29)28(15-18-4-1-2-12-26-18)23-27-20-11-8-17(25)14-21(20)31-23/h1-2,4,6-12,14H,3,5,13,15H2