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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(furan-2-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(phenylthio)propionamide Formula: C21H16F2N2O2S2 MolecularWeight: 430.490746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F2N2O2S2/c22-14-11-17(23)20-18(12-14)29-21(24-20)25(13-15-5-4-9-27-15)19(26)8-10-28-16-6-2-1-3-7-16/h1-7,9,11-12H,8,10,13H2