N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(benzylthio)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide Formula: C22H18BrN3OS2 MolecularWeight: 484.43182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3OS2/c23-17-9-10-19-20(12-17)29-22(25-19)26(13-18-8-4-5-11-24-18)21(27)15-28-14-16-6-2-1-3-7-16/h1-12H,13-15H2