N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)coumarilamide Formula: C24H17FN2O2S2 MolecularWeight: 448.532383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C24H17FN2O2S2/c25-16-10-11-19-21(12-16)31-24(26-19)27-23(28)22-18(17-8-4-5-9-20(17)29-22)14-30-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,26,27,28)