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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(benzylthio)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H22FN3OS2 MolecularWeight: 451.579383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C24H22FN3OS2/c25-20-11-6-12-21-23(20)27-24(31-21)28(16-19-10-4-5-14-26-19)22(29)13-7-15-30-17-18-8-2-1-3-9-18/h1-6,8-12,14H,7,13,15-17H2