N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C21H11Cl2N3OS2 MolecularWeight: 456.36754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=CC(=C5Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=CC(=C5Cl)Cl

InChI

InChI=1S/C21H11Cl2N3OS2/c22-13-7-8-17-19(18(13)23)25-21(29-17)26-20(27)12-10-15(16-6-3-9-28-16)24-14-5-2-1-4-11(12)14/h1-10H,(H,25,26,27)