2-[[3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(3-cyano-5-keto-4-p-cumenyl-4,6,7,8-tetrahydro-1H-quinolin-2-yl)thio]-N-phenyl-acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H27N3O2S/c1-17(2)18-11-13-19(14-12-18)25-21(15-28)27(30-22-9-6-10-23(31)26(22)25)33-16-24(32)29-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,25,30H,6,9-10,16H2,1-2H3,(H,29,32)