N-(4-bromophenyl)-2-[[3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[3-cyano-5-ethanoyl-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-4-isobutyl-6-methyl-1,4-dihydropyridin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-4-isobutyl-6-methyl-1,4-dihydropyridin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)CC(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)CC(C)C)C(=O)C

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/h5-8,12,17,24H,9,11H2,1-4H3,(H,25,27)