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

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

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

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