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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(furan-2-ylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-(phenylthio)butyramide Formula: C22H18F2N2O2S2 MolecularWeight: 444.517326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CO2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C22H18F2N2O2S2/c23-15-12-18(24)21-19(13-15)30-22(25-21)26(14-16-6-4-10-28-16)20(27)9-5-11-29-17-7-2-1-3-8-17/h1-4,6-8,10,12-13H,5,9,11,14H2