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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C22H17F2N3OS2/c1-2-29-17-8-5-6-14(10-17)21(28)27(13-16-7-3-4-9-25-16)22-26-20-18(24)11-15(23)12-19(20)30-22/h3-12H,2,13H2,1H3