2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethyl-1-quinolyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(2,2,4,7-tetramethyl-1-quinolinyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(2,2,4,7-tetramethyl-1-quinolyl)ethanone Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC4=CC=CC=C4S3)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC4=CC=CC=C4S3)(C)C)C

InChI

InChI=1S/C22H22N2OS2/c1-14-9-10-16-15(2)12-22(3,4)24(18(16)11-14)20(25)13-26-21-23-17-7-5-6-8-19(17)27-21/h5-12H,13H2,1-4H3