N-(3-butoxyphenyl)-2-[[5-cyano-2-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-butoxyphenyl)-2-[[5-cyano-2-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(3-butoxyphenyl)-2-[[5-cyano-4-(4-isopropylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(3-butoxyphenyl)-2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(3-butoxyphenyl)-2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(3-butoxyphenyl)-2-[(5-cyano-2-keto-4-p-cumenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C27H31N3O3S/c1-4-5-13-33-22-8-6-7-21(14-22)29-26(32)17-34-27-24(16-28)23(15-25(31)30-27)20-11-9-19(10-12-20)18(2)3/h6-12,14,18,23H,4-5,13,15,17H2,1-3H3,(H,29,32)(H,30,31)