N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(methylthio)-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(methylthio)-N-(2-pyridylmethyl)benzamide Formula: C21H16BrN3OS2 MolecularWeight: 470.40524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

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