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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(2-thienyl)cinchoninamide Formula: C22H15N3OS3 MolecularWeight: 433.569

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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=CS5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H15N3OS3/c1-27-22-25-17-9-8-13(11-20(17)29-22)23-21(26)15-12-18(19-7-4-10-28-19)24-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,23,26)