N-(6,6-dimethyl-4-oxidanylidene-5,7-dihydro-1,3-benzothiazol-2-yl)-2-(3-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6,6-dimethyl-4-oxidanylidene-5,7-dihydro-1,3-benzothiazol-2-yl)-2-(3-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)-2-(3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-keto-6,6-dimethyl-5,7-dihydro-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-quinolyl)thio]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)CC(CC4=O)(C)C

Isomeric SMILES

CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)CC(CC4=O)(C)C

InChI

InChI=1S/C21H21N3O2S2/c1-12-8-13-6-4-5-7-14(13)22-19(12)27-11-17(26)23-20-24-18-15(25)9-21(2,3)10-16(18)28-20/h4-8H,9-11H2,1-3H3,(H,23,24,26)