N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)cinchoninamide Formula: C27H17ClN4OS2 MolecularWeight: 513.03308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(S5)C=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N(CC4=CC=CC=N4)C5=NC6=C(S5)C=C(C=C6)Cl

InChI

InChI=1S/C27H17ClN4OS2/c28-17-10-11-22-25(14-17)35-27(31-22)32(16-18-6-3-4-12-29-18)26(33)20-15-23(24-9-5-13-34-24)30-21-8-2-1-7-19(20)21/h1-15H,16H2