2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(3-cyano-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]-N-(m-tolyl)acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H21N3O2S/c1-13-5-4-6-15(7-13)23-19(26)12-27-20-14(11-22)8-16-17(24-20)9-21(2,3)10-18(16)25/h4-8H,9-10,12H2,1-3H3,(H,23,26)