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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-bromanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C20H12BrF2N3OS MolecularWeight: 460.294586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H12BrF2N3OS/c21-14-5-3-13(4-6-14)19(27)26(11-12-2-1-7-24-10-12)20-25-18-16(23)8-15(22)9-17(18)28-20/h1-10H,11H2