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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-bromanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-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(=CC(=C1)Br)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

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