N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-phenylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-phenylphenyl)quinoline-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-phenylphenyl)cinchoninamide Formula: C30H21N3OS2 MolecularWeight: 503.63724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H21N3OS2/c1-35-30-33-26-16-15-22(17-28(26)36-30)31-29(34)24-18-27(32-25-10-6-5-9-23(24)25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H,31,34)