N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C23H17N3OS2 MolecularWeight: 415.53058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C

InChI

InChI=1S/C23H17N3OS2/c1-13-9-10-20-21(14(13)2)25-23(29-20)26-22(27)16-12-18(19-8-5-11-28-19)24-17-7-4-3-6-15(16)17/h3-12H,1-2H3,(H,25,26,27)