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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-(2-thienyl)cinchoninamide Formula: C29H22N4OS2 MolecularWeight: 506.64118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6)C

InChI

InChI=1S/C29H22N4OS2/c1-18-14-19(2)27-26(15-18)36-29(32-27)33(17-20-8-5-6-12-30-20)28(34)22-16-24(25-11-7-13-35-25)31-23-10-4-3-9-21(22)23/h3-16H,17H2,1-2H3