N-(2-bromanyl-4-nitro-phenyl)-2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[(4R)-3-cyano-5-ethanoyl-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]thio]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-[[(4R)-5-acetyl-3-cyano-6-methyl-4-propyl-1,4-dihydropyridin-2-yl]thio]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(NC(=C1C(=O)C)C)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CCC[C@H]1C(=C(NC(=C1C(=O)C)C)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C20H21BrN4O4S/c1-4-5-14-15(9-22)20(23-11(2)19(14)12(3)26)30-10-18(27)24-17-7-6-13(25(28)29)8-16(17)21/h6-8,14,23H,4-5,10H2,1-3H3,(H,24,27)/t14-/m0/s1