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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(phenylthio)-N-(2-pyridylmethyl)butyramide Formula: C23H20FN3OS2 MolecularWeight: 437.552803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C23H20FN3OS2/c24-17-11-12-20-21(15-17)30-23(26-20)27(16-18-7-4-5-13-25-18)22(28)10-6-14-29-19-8-2-1-3-9-19/h1-5,7-9,11-13,15H,6,10,14,16H2