N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(methylthio)-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(methylthio)-N-(2-pyridylmethyl)benzamide Formula: C21H16BrN3OS2 MolecularWeight: 470.40524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3OS2/c1-27-18-8-3-2-7-16(18)20(26)25(13-15-6-4-5-11-23-15)21-24-17-10-9-14(22)12-19(17)28-21/h2-12H,13H2,1H3