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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C25H24FN3OS2 MolecularWeight: 465.605963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H24FN3OS2/c1-17-14-18(2)24-22(15-17)32-25(28-24)29(16-20-6-3-4-12-27-20)23(30)7-5-13-31-21-10-8-19(26)9-11-21/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3