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

Systemtic Name: 2-[[(4R)-3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-3-cyano-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]acetamide CAS Name: 2-[[(4R)-3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]acetamide IUPAC Name: 2-[[(4R)-3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[(4R)-3-cyano-5-keto-4-p-cumenyl-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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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)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H]2C(C(=NC3=C2C(=O)CCC3)SCC(=O)N)C#N

InChI

InChI=1S/C21H23N3O2S/c1-12(2)13-6-8-14(9-7-13)19-15(10-22)21(27-11-18(23)26)24-16-4-3-5-17(25)20(16)19/h6-9,12,15,19H,3-5,11H2,1-2H3,(H2,23,26)/t15?,19-/m0/s1