N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyridylmethyl)propionamide Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3OS/c23-17-10-11-19-20(14-17)28-22(25-19)26(15-18-8-4-5-13-24-18)21(27)12-9-16-6-2-1-3-7-16/h1-8,10-11,13-14H,9,12,15H2