N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(furan-2-ylmethyl)-4-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(furan-2-ylmethyl)-4-propan-2-ylsulfanyl-benzamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-isopropylsulfanyl-benzamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(propan-2-ylthio)benzamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfanylbenzamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-(isopropylthio)benzamide Formula: C22H18F2N2O2S2 MolecularWeight: 444.517326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C22H18F2N2O2S2/c1-13(2)29-17-7-5-14(6-8-17)21(27)26(12-16-4-3-9-28-16)22-25-20-18(24)10-15(23)11-19(20)30-22/h3-11,13H,12H2,1-2H3