N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4,6-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C21H11Cl2N3OS2 MolecularWeight: 456.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(C=C(C=C5S4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(C=C(C=C5S4)Cl)Cl

InChI

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