N-(4-bromophenyl)-2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[(4R)-5-cyano-3-ethanoyl-2-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-3-acetyl-5-cyano-4-isobutyl-2-methyl-3,4-dihydropyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-6-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[(4R)-3-acetyl-5-cyano-2-methyl-4-(2-methylpropyl)-3,4-dihydropyridin-6-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[(4R)-3-acetyl-5-cyano-4-isobutyl-2-methyl-3,4-dihydropyridin-6-yl]thio]-N-(4-bromophenyl)acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)CC(C)C)C#N)SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)CC(C)C)C#N)SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-12(2)9-17-18(10-23)21(24-13(3)20(17)14(4)26)28-11-19(27)25-16-7-5-15(22)6-8-16/h5-8,12,17,20H,9,11H2,1-4H3,(H,25,27)/t17-,20?/m0/s1