1-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]-2,2-dimethyl-quinolin-1-yl]ethanone

Systemtic Name: 1-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]-2,2-dimethyl-quinolin-1-yl]ethanone Openeye Name: 1-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]-2,2-dimethyl-1-quinolyl]ethanone CAS Name: 1-[4-[1,3-benzothiazol-2-yl(mercapto)methyl]-2,2-dimethyl-1-quinolinyl]ethanone IUPAC Name: 1-[4-[1,3-benzothiazol-2-yl(sulfanyl)methyl]-2,2-dimethylquinolin-1-yl]ethanone Traditional Name: 1-[4-[1,3-benzothiazol-2-yl(mercapto)methyl]-2,2-dimethyl-1-quinolyl]ethanone Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)C(C3=NC4=CC=CC=C4S3)S

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)C(C3=NC4=CC=CC=C4S3)S

InChI

InChI=1S/C21H20N2OS2/c1-13(24)23-17-10-6-4-8-14(17)15(12-21(23,2)3)19(25)20-22-16-9-5-7-11-18(16)26-20/h4-12,19,25H,1-3H3