N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chloro-2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chloro-2-thienyl)cinchoninamide Formula: C21H11BrClN3OS2 MolecularWeight: 500.81854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C21H11BrClN3OS2/c22-11-5-6-15-18(9-11)29-21(25-15)26-20(27)13-10-16(17-7-8-19(23)28-17)24-14-4-2-1-3-12(13)14/h1-10H,(H,25,26,27)