N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridylmethyl)propionamide Formula: C22H17F2N3OS2 MolecularWeight: 441.516686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F2N3OS2/c23-15-12-18(24)21-19(13-15)30-22(26-21)27(14-16-6-4-5-10-25-16)20(28)9-11-29-17-7-2-1-3-8-17/h1-8,10,12-13H,9,11,14H2