N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetamide IUPAC Name: N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(4-bromophenyl)-2-[(3-cyano-4-ethyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-2-yl)thio]-2-phenyl-acetamide Formula: C28H28BrN3O2S MolecularWeight: 550.50982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C28H28BrN3O2S/c1-4-20-21(16-30)27(32-22-14-28(2,3)15-23(33)24(20)22)35-25(17-8-6-5-7-9-17)26(34)31-19-12-10-18(29)11-13-19/h5-13,20,25,32H,4,14-15H2,1-3H3,(H,31,34)