N-(2-bromanyl-4-methyl-phenyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]acetamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2S/c1-12-4-5-16(15(22)6-12)24-19(27)11-28-20-13(10-23)7-14-17(25-20)8-21(2,3)9-18(14)26/h4-7H,8-9,11H2,1-3H3,(H,24,27)